4-Chlorophenyl 2,2,2-trifluoroethanimidothioate
Basic information
- CAS
73022-53-4- Standard SMILES
N=C(Sc1ccc(Cl)cc1)C(F)(F)F- InChIKey
LJIQQPWXVUJMTD-UHFFFAOYSA-N- Molecular formula
- C8H5ClF3NS
- Average molar mass
- 239.65 g/mol
- Monoisotopic mass
- 238.9783325
Names & identifiers
- Preferred name
- 4-Chlorophenyl 2,2,2-trifluoroethanimidothioate
- IUPAC
- (4-chlorophenyl) 2,2,2-trifluoroethanimidothioate
Names & synonyms
73022-53-44-Chlorophenyl 2,2,2-trifluoroethanimidothioateDTXSID40500498RefChem:292141DTXCID70451308Ethanimidothioic acid, 2,2,2-trifluoro-, 4-chlorophenyl ester(4-chlorophenyl) 2,2,2-trifluoroethanimidothioateSCHEMBL4176960LJIQQPWXVUJMTD-UHFFFAOYSA-N
Database identifiers
- CAS
73022-53-4- PubChem CID
- 12499352
- DTXSID
DTXSID40500498
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
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Compound notes
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