Benzenethiol, 2-(chloromethyl)-5-(trifluoromethyl)-
Basic information
- CAS
1379336-59-0- Standard SMILES
FC(F)(F)c1ccc(CCl)c(S)c1- InChIKey
FIPLHPHZBDRQDJ-UHFFFAOYSA-N- Molecular formula
- C8H6ClF3S
- Average molar mass
- 226.65 g/mol
- Monoisotopic mass
- 225.9830835
Names & identifiers
- Preferred name
- Benzenethiol, 2-(chloromethyl)-5-(trifluoromethyl)-
- IUPAC
- 2-(chloromethyl)-5-(trifluoromethyl)benzenethiol
Names & synonyms
1379336-59-0Benzenethiol, 2-(chloromethyl)-5-(trifluoromethyl)-SCHEMBL11155123DTXSID4012242632-Mercapto-4-(trifluoromethyl)benzyl chloride2-(Chloromethyl)-5-(trifluoromethyl)benzene-1-thiol
Database identifiers
- CAS
1379336-59-0- PubChem CID
- 20487643
- DTXSID
DTXSID401224263
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
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Compound notes
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