Cas no 21101-79-1 (2-(ethylsulfanyl)benzoic acid)
2-(Ethylsulfanyl)benzoic acid is a sulfur-containing benzoic acid derivative characterized by the presence of an ethylthio substituent at the ortho position. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly in the formation of thioether linkages and as a building block for heterocyclic frameworks. The ethylsulfanyl group enhances lipophilicity, which can be advantageous in modifying physicochemical properties of target molecules. Its benzoic acid moiety allows for further functionalization via esterification or amidation. The compound is typically employed in the development of agrochemicals, pharmaceuticals, and specialty chemicals, where its structural features contribute to tailored molecular design.
2-(ethylsulfanyl)benzoic acid structure
Product Name:2-(ethylsulfanyl)benzoic acid
CAS No:21101-79-1
MF:C9H10O2S
MW:182.239501476288
MDL:MFCD00094046
CID:1085362
PubChem ID:425758
Update Time:2025-10-29
2-(ethylsulfanyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(Ethylthio)benzoic acid
- 2-(ethylsulfanyl)benzoic acid
- 2-Aethylmercapto-benzoesaeure
- 2-S-ethylmercaptobenzoic acid
- F2135-0498
- o-ethylmercaptobenzoic acid
- S-Aethyl-thiosalicylsaeure
- S-ethyl-thiosalicylic acid
- BBL000357
- EN300-12664
- STK288471
- Benzoic acid, 2-(ethylthio)-
- ALBB-009419
- 2-(ethylthio)benzoic acid, AldrichCPR
- 2-ethylsulfanyl-benzoic acid
- 21101-79-1
- Z85923392
- AKOS000264500
- GLGKZKZNXSHACI-UHFFFAOYSA-N
- 2-(S-?thylmercapto)-benzoes?ure
- MFCD00094046
- DTXSID30330004
- 2-ethylsulfanylbenzoic Acid
- VS-00588
- SCHEMBL2747847
- 2-ethylsulfanyl benzoic acid
- AT22922
-
- MDL： MFCD00094046
- Inchi： 1S/C9H10O2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChI Key： GLGKZKZNXSHACI-UHFFFAOYSA-N
- SMILES： S(CC)C1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 182.04000
- Monoisotopic Mass: 182.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 62.60000
- LogP: 2.49680
2-(ethylsulfanyl)benzoic 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%
2-(ethylsulfanyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E926773-50mg |
2-(Ethylthio)benzoic Acid |
21101-79-1 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E926773-100mg |
2-(Ethylthio)benzoic Acid |
21101-79-1 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E926773-500mg |
2-(Ethylthio)benzoic Acid |
21101-79-1 | 500mg |
$ 160.00 | 2022-06-05 | ||
| Matrix Scientific | 040408-500mg |
2-(Ethylthio)benzoic acid |
21101-79-1 | 500mg |
$126.00 | 2023-09-11 | ||
| Apollo Scientific | OR954047-250mg |
2-(Ethylthio)benzoic acid |
21101-79-1 | 95% | 250mg |
￡130.00 | 2025-02-20 | |
| Apollo Scientific | OR954047-1g |
2-(Ethylthio)benzoic acid |
21101-79-1 | 95% | 1g |
￡300.00 | 2025-02-20 | |
| abcr | AB266046-1 g |
2-(Ethylthio)benzoic acid |
21101-79-1 | 1g |
€217.60 | 2023-04-26 | ||
| abcr | AB266046-5 g |
2-(Ethylthio)benzoic acid |
21101-79-1 | 5g |
€723.20 | 2023-04-26 | ||
| Chemenu | CM558045-25g |
2-(Ethylthio)benzoic acid |
21101-79-1 | 97% | 25g |
$1462 | 2022-06-12 | |
| abcr | AB266046-1g |
2-(Ethylthio)benzoic acid; . |
21101-79-1 | 1g |
€179.30 | 2025-04-20 |
2-(ethylsulfanyl)benzoic acid Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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