(4-Chlorophenyl)methyl [3-(trifluoromethyl)phenyl]carbamodithioate
Basic information
- CAS
58045-16-2- Standard SMILES
FC(F)(F)c1cccc(NC(=S)SCc2ccc(Cl)cc2)c1- InChIKey
NITIOKKRQUUYIK-UHFFFAOYSA-N- Molecular formula
- C15H11ClF3NS2
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 360.9973539
Names & identifiers
- Preferred name
- (4-Chlorophenyl)methyl [3-(trifluoromethyl)phenyl]carbamodithioate
- IUPAC
- (4-chlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamodithioate
Names & synonyms
58045-16-2NSC179941DTXSID20397969(4-Chlorophenyl)methyl [3-(trifluoromethyl)phenyl]carbamodithioateNSC-179941
Database identifiers
- CAS
58045-16-2- PubChem CID
- 3921098
- DTXSID
DTXSID20397969
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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