Cas no 2899-66-3 (3-benzylsulfanylpropanoic Acid)
3-Benzylsulfanylpropanoic acid is a sulfur-containing organic compound characterized by its benzylthioether and carboxylic acid functional groups. This intermediate is valued for its versatility in synthetic organic chemistry, particularly in the preparation of thioether derivatives and as a building block for pharmaceuticals or agrochemicals. The benzylsulfanyl moiety enhances reactivity in nucleophilic substitution or oxidation reactions, while the propanoic acid group allows for further functionalization via esterification or amidation. Its stable structure under standard conditions ensures consistent performance in multi-step syntheses. The compound is commonly utilized in research settings for developing bioactive molecules, owing to its balanced lipophilicity and compatibility with diverse reaction conditions.
2899-66-3 structure
Product Name:3-benzylsulfanylpropanoic Acid
CAS No:2899-66-3
MF:C10H12O2S
MW:196.266081809998
CID:43553
PubChem ID:221428
Update Time:2025-10-28
3-benzylsulfanylpropanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(Benzylthio)propionic acid
- (BZL)SCH2CH2COOH
- 3-(benzylthio)propanoic acid
- 3-(BENZYLTHIO)-PROPIONIC ACID
- Mpa(bzl)
- 3-(benzylthio)propanoic acid(SALTDATA: FREE)
- 3-benzylsulfanylpropanoic acid
- 3-(benzylsulfanyl)propanoic acid
- Mpr(Bzl)-OH
- Propanoic acid, 3-[(phenylmethyl)thio]-
- NSC5996
- Propionic acid, 3-(benzylthio)-
- .beta.-(Benzylthio)propionic acid
- S-Benzyl-.beta.-mercaptopropionic acid
- PubChem12833
- NCIStruc1_000201
- NCIStruc2_000051
- NSC8528
- NCI5996
- 3-(phenylmethylthio)pro
- SCHEMBL44801
- Z54671437
- NSC 5996
- NCGC00013065-02
- AS-63965
- NS00123699
- CS-W015701
- CCG-37625
- D83172
- MFCD00020521
- NCGC00096189-01
- BB 0259490
- DTXSID00278085
- FT-0684035
- NCGC00013065
- NSC 8528
- NCI60_004460
- AKOS000144734
- 2899-66-3
- NSC-8528
- EN300-121446
- NSC-5996
- CHEMBL1456337
- 4-Vinylsulfonylbenzoic?acid-NHS
- STL261672
- BBL022628
- ALBB-016579
- NDBNSZKHDMXOJE-UHFFFAOYSA-N
- 3-benzylsulfanylpropanoic Acid
-
- MDL： MFCD00020521
- Inchi： 1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
- InChI Key： NDBNSZKHDMXOJE-UHFFFAOYSA-N
- SMILES： S(CCC(=O)O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 196.05600
- Monoisotopic Mass: 196.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 153
- 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: 1.9
- Topological Polar Surface Area: 62.6
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 351.6±25.0 °C at 760 mmHg
- Flash Point: 166.4±23.2 °C
- PSA: 62.60000
- LogP: 2.39450
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
3-benzylsulfanylpropanoic Acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26; S36
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Risk Phrases：R20/21/22
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-benzylsulfanylpropanoic Acid Customs Data
- HS CODE：2930909090
- 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%
3-benzylsulfanylpropanoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KR687-25g |
3-benzylsulfanylpropanoic Acid |
2899-66-3 | 98+% | 25g |
1460CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KR687-200mg |
3-benzylsulfanylpropanoic Acid |
2899-66-3 | 98+% | 200mg |
70CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KR687-1g |
3-benzylsulfanylpropanoic Acid |
2899-66-3 | 98+% | 1g |
83.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KR687-5g |
3-benzylsulfanylpropanoic Acid |
2899-66-3 | 98+% | 5g |
261.0CNY | 2021-07-14 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B137566-1g |
3-(Benzylthio)propionicacid |
2899-66-3 | 1g |
￥149.00 | 2021-05-25 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B137566-5g |
3-(Benzylthio)propionicacid |
2899-66-3 | 5g |
￥284.00 | 2021-05-25 | ||
| Fluorochem | M03551-1g |
3-(Benzylthio)propionic acid |
2899-66-3 | 95% | 1g |
￡58.00 | 2022-02-28 | |
| Fluorochem | M03551-10g |
3-(Benzylthio)propionic acid |
2899-66-3 | 95% | 10g |
￡572.00 | 2022-02-28 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X14425-100g |
Mpr(Bzl)-OH |
2899-66-3 | 98% | 100g |
￥2695.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X14425-1g |
Mpr(Bzl)-OH |
2899-66-3 | 98% | 1g |
￥72.0 | 2024-07-18 |
3-benzylsulfanylpropanoic Acid Related Literature
-
Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
-
Danlei Xiang Nanoscale, 2021,13, 5497-5506
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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