HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66739Generated: October 27, 2026
Acetic acid, 2-((4-chloro-2,5-dimethylphenyl)thio)-
2,5-dimethyl-4-chlorophenylmercaptoacetic acid · [(4-chloro-2,5-dimethylphenyl)thio]acetic acid · 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetic acid · Acetic acid, 2-[(4-chloro-2,5-dimethylphenyl)thio]- · 2-(4-chloro-2,5-dimethyl-phenyl)sulfanylethanoic acid
https://huagongshe.com/en/chemical/66739
Identifiers & Physical Properties
| CAS No. | 93-77-6 |
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| Molecular formula | C10H11ClO2S |
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| Average molar mass | 230.71 g/mol |
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| Monoisotopic mass | 230.01682827 g/mol |
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| SMILES | Cc1cc(SCC(=O)O)c(C)cc1Cl |
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| InChIKey | OEEPIGFTISQIKQ-UHFFFAOYSA-N |
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| PubChem CID | 66739 |
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| EC No. | 202-274-9 |
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| DTXSID | DTXSID9059090 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 62.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 210 |
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| Melting point | 196 °C |
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| Boiling point | 355.3±42.0 °C(Predicted) |
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| Density | 1.31±0.1 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| pKa (acidity coefficient) | 3.41±0.10(Predicted) |
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| CAS DataBase Reference | 93-77-6 |
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| EPA Substance Registry System | Acetic acid, [(4-chloro-2,5-dimethylphenyl)thio]- (93-77-6) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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