Cas no 5537-74-6 (3-(ethylsulfanyl)benzoic acid)
3-(Ethylsulfanyl)benzoic acid is a sulfur-containing benzoic acid derivative with the molecular formula C?H??O?S. This compound features an ethylthio substituent at the meta-position of the benzoic acid ring, contributing to its unique chemical reactivity and potential utility in organic synthesis. The ethylsulfanyl group enhances lipophilicity, making it valuable in the design of intermediates for pharmaceuticals, agrochemicals, and specialty chemicals. Its carboxylic acid functionality allows for further derivatization, including esterification or amidation. The compound is typically used in research and industrial applications where tailored aromatic structures with sulfur modifications are required. Proper handling and storage are recommended due to its reactivity.
3-(ethylsulfanyl)benzoic acid structure
Product Name:3-(ethylsulfanyl)benzoic acid
CAS No:5537-74-6
MF:C9H10O2S
MW:182.239501476288
CID:884184
PubChem ID:270872
Update Time:2025-06-07
3-(ethylsulfanyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-ethylsulfanylbenzoic acid
- 3-Aethylmercapto-benzoesaeure
- 3-Ethylmercapto-benzoesaeure
- 3-(ethylsulfanyl)benzoic acid
-
- Inchi： 1S/C9H10O2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChI Key： MZRQSAWOIUBTQY-UHFFFAOYSA-N
- SMILES： S(CC)C1C=CC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 182.04000
- Monoisotopic Mass: 182.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- 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
- Density: 1.23
- Boiling Point: 332°C at 760 mmHg
- Flash Point: 154.6°C
- Refractive Index: 1.596
- PSA: 62.60000
- LogP: 2.49680
3-(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%
3-(ethylsulfanyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AV50499-250mg |
3-(Ethylsulfanyl)benzoic acid |
5537-74-6 | 95% | 250mg |
$179.00 | 2024-04-19 | |
| A2B Chem LLC | AV50499-1g |
3-(Ethylsulfanyl)benzoic acid |
5537-74-6 | 95% | 1g |
$473.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1796527-100mg |
3-(Ethylthio)benzoic acid |
5537-74-6 | 98% | 100mg |
￥2190.00 | 2024-05-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1796527-250mg |
3-(Ethylthio)benzoic acid |
5537-74-6 | 98% | 250mg |
￥2808.00 | 2024-05-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1796527-1g |
3-(Ethylthio)benzoic acid |
5537-74-6 | 98% | 1g |
￥7646.00 | 2024-05-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1796527-5g |
3-(Ethylthio)benzoic acid |
5537-74-6 | 98% | 5g |
￥24866.00 | 2024-05-09 | |
| Enamine | EN300-122001-0.05g |
3-(ethylsulfanyl)benzoic acid |
5537-74-6 | 95.0% | 0.05g |
$94.0 | 2025-02-21 | |
| Enamine | EN300-122001-0.1g |
3-(ethylsulfanyl)benzoic acid |
5537-74-6 | 95.0% | 0.1g |
$140.0 | 2025-02-21 | |
| Enamine | EN300-122001-0.25g |
3-(ethylsulfanyl)benzoic acid |
5537-74-6 | 95.0% | 0.25g |
$200.0 | 2025-02-21 | |
| Enamine | EN300-122001-0.5g |
3-(ethylsulfanyl)benzoic acid |
5537-74-6 | 95.0% | 0.5g |
$374.0 | 2025-02-21 |
3-(ethylsulfanyl)benzoic acid Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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