- Thiobenzoylthioglycolic acidKurzer, Frederick; Lawson, Alexander, Organic Syntheses, 1962, 42, 100-3
Cas no 942-91-6 (S-(Thiobenzoyl)thioglycolic Acid)
942-91-6 structure
Product Name:S-(Thiobenzoyl)thioglycolic Acid
CAS No:942-91-6
MF:C9H8O2S2
MW:212.288619995117
MDL:MFCD00004927
CID:40372
PubChem ID:24849706
Update Time:2024-10-26
S-(Thiobenzoyl)thioglycolic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(Benzothioylthio)acetic acid
- S-(Thiobenzoyl)thioglycolic acid
- Dithiobenzoic acid carboxymethyl ester
- [(Phenylcarbonothioyl)thio]acetic acid
- 2-(benzenecarbonothioylsulfanyl)acetic acid
- (benzenecarbothioylsulfanyl)acetic acid
- 2-((phenylcarbonothioyl)thio)acetic acid
- 2-(benzenecarbothioylsulfanyl)acetic acid
- Acetic acid,[(phenylthioxomethyl)thio]
- Carboxymethyl dithiobenzoate
- Dithiobenzoesaeurecarboxylmethylester
- Dithiobenzoesaeurecarboxymethylester
- Thiobenzoyl thioglycolate
- Thiobenzoylthioacetic acid
- (Thiobenzoylthio)acetic Acid
- 2-[(Phenylthioxomethyl)thio]acetic acid (ACI)
- Acetic acid, [(phenylthioxomethyl)thio]- (9CI)
- Acetic acid, mercapto-, dithiobenzoate (8CI)
- Benzoic acid, dithio-, carboxymethyl ester (6CI)
- Benzoic acid, dithio-, ester with mercaptoacetic acid (7CI, 8CI)
- 2-(Phenylcarbonothioylthio)acetic acid
- 2-(Thiobenzoylthio)acetic acid
- NSC 42331
- NSC 68200
- STK331992
- 2-(benzenecarbonothioylsulfanyl)aceticacid
- CHEMBL457019
- MFCD00004927
- Benzoic acid, dithio-, carboxymethyl ester
- C9H8O2S2
- CCG-51440
- DB-057483
- Thiobenzoylthioglycolic acid
- ((Phenylthioxomethyl)thio)acetic acid
- Benzoic acid, ester with mercaptoacetic acid
- J-506228
- S-Thiobenzoylthioglycolic acid
- SR-01000640736-1
- CS-W014999
- S-(Thiobenzoyl)thioglycolic acid, 99%
- DTXSID30240972
- Benzoic acid, dithio-, ester with mercaptoacetic acid
- (Benzothioylsulfanyl)acetic acid #
- NSC42331
- NSC-68200
- [(phenylcarbonothioyl)sulfanyl]acetic acid
- BP-30120
- S-(Thiobenzoyl)thioglycolic acid; Dithiobenzoic acid carboxymethyl ester
- ALBB-004078
- NS00040371
- 2-((Phenylcarbonothioyl)thio)aceticacid
- HMS1531O09
- NSC68200
- T2401
- Benzoic acid, carboxymethyl ester
- SY053104
- D77774
- XBEIANFIOZTEDE-UHFFFAOYSA-
- AKOS000321343
- EINECS 213-393-0
- InChI=1/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
- Maybridge4_003837
- SCHEMBL162936
- 942-91-6
- NSC-42331
- Acetic acid, [(phenylthioxomethyl)thio]-
- 2-(Phenylcarbonothioylsulfanyl)acetic acid
- AS-64489
- Thiobenzoylsulfanylacetic acid
- S-(Thiobenzoyl)thioglycolic Acid
-
- MDL： MFCD00004927
- Inchi： 1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
- InChI Key： XBEIANFIOZTEDE-UHFFFAOYSA-N
- SMILES： O=C(CSC(C1C=CC=CC=1)=S)O
Computed Properties
- Exact Mass: 211.99700
- Monoisotopic Mass: 211.99657184g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 94.7?2
Experimental Properties
- Color/Form: Dark red liquid
- Density: 1.3790
- Melting Point: 126.0 to 130.0 deg-C
- Solubility: acetone: soluble25mg/mL, clear
- PSA: 94.69000
- LogP: 2.17990
- Solubility: Soluble in water
S-(Thiobenzoyl)thioglycolic Acid Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H315,H319,H335
- Warning Statement： P261,P305+P351+P338
- Hazardous Material transportation number：UN 3335
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Risk Phrases：R36/37/38
S-(Thiobenzoyl)thioglycolic Acid Customs Data
- HS CODE：29309070
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
S-(Thiobenzoyl)thioglycolic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 157880-10G |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 10g |
￥1738.53 | 2023-12-10 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T2401-25G |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | >97.0%(GC)(T) | 25g |
￥340.00 | 2024-04-15 | |
| TRC | B189003-50mg |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B189003-100mg |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B189003-500mg |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 500mg |
$ 80.00 | 2022-06-07 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007010-25g |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 99% | 25g |
￥465 | 2024-07-19 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007010-5g |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 99% | 5g |
￥168 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S97930-1g |
2-((Phenylcarbonothioyl)thio)acetic acid |
942-91-6 | 1g |
￥158.0 | 2021-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S97930-5g |
2-((Phenylcarbonothioyl)thio)acetic acid |
942-91-6 | 5g |
￥488.0 | 2021-09-07 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S101895-25g |
S-(Thiobenzoyl)thioglycolic Acid |
942-91-6 | 99% | 25g |
￥1383.90 | 2023-09-01 |
S-(Thiobenzoyl)thioglycolic Acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium bicarbonate , Hydrochloric acid Solvents: Water
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 20 min, rt; rt → 40 °C; reflux
1.2 2 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; neutralized, rt → 90 °C; 5 h, reflux
1.4 Reagents: Hydrochloric acid Solvents: Water ; neutralized, reflux; cooled; 30 min, cooled
1.2 2 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; neutralized, rt → 90 °C; 5 h, reflux
1.4 Reagents: Hydrochloric acid Solvents: Water ; neutralized, reflux; cooled; 30 min, cooled
Reference
- Antitumor compounds, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Piperidine , Iodine Solvents: Tetrahydrofuran ; rt
1.2 2 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; 5 min, neutralized, reflux
1.4 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.2 2 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; 5 min, neutralized, reflux
1.4 Reagents: Hydrochloric acid Solvents: Water ; acidified
Reference
- 2-(Phenylcarbonothioylsulfanyl)acetic acidMoreno-Fuquen, Rodolfo; Grande, Carlos; Zuluaga, Fabio; Ellena, Javier; De Simone, Carlos A., Acta Crystallographica, 2010, 66(10),
Production Method 4
Reaction Conditions
1.1 Reagents: Magnesium , Iodine Solvents: Tetrahydrofuran ; rt → 80 °C; 2 h, reflux; reflux → 0 °C
1.2 0 °C; 0 °C → rt
1.3 Solvents: Tetrahydrofuran ; rt → 100 °C; 24 h, 100 °C
1.2 0 °C; 0 °C → rt
1.3 Solvents: Tetrahydrofuran ; rt → 100 °C; 24 h, 100 °C
Reference
- Porphyrin and Galactosyl Conjugated Micelles for Targeting Photodynamic TherapyWu, De-Qun; Li, Ze-Yong; Li, Cao; Fan, Jian-Jun; Lu, Bo; et al, Pharmaceutical Research, 2010, 27(1), 187-199
Production Method 5
Reaction Conditions
1.1 Solvents: Diethyl ether
1.2 -
1.3 Reagents: Hydrogen ion
1.2 -
1.3 Reagents: Hydrogen ion
Reference
- Syntheses and antitumor activities of N'1,N'3-dialkyl-N'1,N'3-di-(alkylcarbonothioyl) malonohydrazide: The discovery of elesclomolChen, Shoujun; Sun, Lijun; Koya, Keizo; Tatsuta, Noriaki; Xia, Zhiqiang; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(18), 5070-5076
Production Method 6
Reaction Conditions
1.1 Solvents: Tetrahydrofuran ; 0 °C; 12 h, rt
1.2 Reagents: Sodium carbonate Solvents: Water ; cooled; 24 h, 90 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 2
1.2 Reagents: Sodium carbonate Solvents: Water ; cooled; 24 h, 90 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 2
Reference
- Asymmetric catalytic alkynylation of thiazolones and azlactones for synthesis of quaternary α-amino acid precursorsMeng, Beibei; Shi, Qian; Meng, Yuan; Chen, Jie; Cao, Weiguo; et al, Organic & Biomolecular Chemistry, 2021, 19(23), 5087-5092
Production Method 7
Reaction Conditions
1.1 Solvents: Tetrahydrofuran ; 0 °C; 12 h, rt
1.2 Reagents: Sodium carbonate Solvents: Water ; cooled; 24 h, 90 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 2
1.2 Reagents: Sodium carbonate Solvents: Water ; cooled; 24 h, 90 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 2
Reference
- An efficient one-pot synthesis of 2,5-disubstituted-1,3,4-thiadiazoles from aldehydes and hydrazides using Lawesson's reagentKo, Inseok; Park, Soojin; Lee, Goeun; Kim, Hakwon, ARKIVOC (Gainesville, 2019, (3), 67-78
Production Method 8
Reaction Conditions
1.1 Solvents: Water ; 5 min, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
- Potassium hydrogen sulfideDittmer, Donald C., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-2
Production Method 9
Reaction Conditions
1.1 Solvents: Diethyl ether , Tetrahydrofuran ; 0 °C; 0 °C → rt; 1 h, rt
1.2 Solvents: Tetrahydrofuran ; rt → reflux; 24 h, reflux
1.2 Solvents: Tetrahydrofuran ; rt → reflux; 24 h, reflux
Reference
- Preparation of α,ω-telechelic hexyl acrylate polymers with [bond]OH, [bond]COOH, and [bond]NH2 functional groups by RAFTCortez-Lemus, Norma A.; Salgado-Rodriguez, Rodolfo; Licea-Claverie, Angel, Journal of Polymer Science, 2010, 48(14), 3033-3051
Production Method 10
Reaction Conditions
1.1 Reagents: Triethylamine , Sulfur Solvents: Dimethylformamide
1.2 -
1.2 -
Reference
- Dithiocarboxylic acids, dithiocarboxylic esters, or thiocarboxylic amides by reaction of methylene-active chloromethyl compounds with sulfurThiel, W.; Mayer, R., Journal fuer Praktische Chemie (Leipzig), 1989, 331(2), 243-62
Production Method 11
Reaction Conditions
1.1 Reagents: Magnesium , Iodine Solvents: Tetrahydrofuran ; reflux; 2 h, reflux; reflux → 0 °C
1.2 0 °C; 12 h, rt
1.3 Reagents: Sodium carbonate Solvents: Water ; 24 h, rt
1.4 Reagents: Hydrochloric acid ; pH 2
1.2 0 °C; 12 h, rt
1.3 Reagents: Sodium carbonate Solvents: Water ; 24 h, rt
1.4 Reagents: Hydrochloric acid ; pH 2
Reference
- Synthesis and biological evaluation of 5'-phenyl-3'H-spiro-[indoline-3,2'-[1,3,4]oxadiazol]-2-one analogsLiu, Hua-Quan; Wang, De-Cai; Wu, Fei; Tang, Wei; Ouyang, Ping-Kai, Chinese Chemical Letters, 2013, 24(10), 929-933
Production Method 12
Reaction Conditions
1.1 Solvents: Tetrahydrofuran ; 80 °C
1.2 24 h
1.3 rt; 24 h, rt
1.2 24 h
1.3 rt; 24 h, rt
Reference
- Synthesis of Thermo-Sensitive Micellar Aggregates Self-Assembled from Biotinylated PNAS-b-PNIPAAm-b-PCL Triblock Copolymers for Tumor TargetingQuan, Chang-Yun; Wu, De-Qun; Chang, Cong; Zhang, Guo-Bing; Cheng, Si-Xue; et al, Journal of Physical Chemistry C, 2009, 113(26), 11262-11267
S-(Thiobenzoyl)thioglycolic Acid Raw materials
S-(Thiobenzoyl)thioglycolic Acid Preparation Products
S-(Thiobenzoyl)thioglycolic Acid Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:942-91-6)S-(Thiobenzoyl)thioglycolic Acid
Order Number:A844901
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:04
Price ($):270.0
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:942-91-6)2-巰基-S-硫代苯甲酰乙酸
Order Number:LE2463913
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:38
Price ($):discuss personally
Email:[email protected]
S-(Thiobenzoyl)thioglycolic Acid Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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