HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178720249Generated: November 1, 2026
Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate
Methyl 2-((2-cyano-4-(trifluoromethyl)phenyl)thio)benzoate · Benzoic acid, 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]-, methyl ester · METHYL 2-([2-CYANO-4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)BENZENECARBOXYLATE
https://huagongshe.com/en/chemical/178720249
Identifiers & Physical Properties
| CAS No. | 477866-75-4 |
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| Molecular formula | C16H10F3NO2S |
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| Average molar mass | 337.3 g/mol |
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| SMILES | COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1C#N |
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| InChIKey | MCHQNFDVMMHWQN-UHFFFAOYSA-N |
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Chemical & Physical Properties
| XLogP | 4.4 |
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| Topological polar surface area | 75.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 23 |
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| Formal charge | 0 |
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| Complexity | 474 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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![Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate molecular structure](/img/chemical/178720249.png)