Basic information
- CAS
71114-55-1- Standard SMILES
S=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
CTVJTQLYPUVSBB-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NS
- Average molar mass
- 282.2 g/mol
- Monoisotopic mass
- 280.9832759
Names & identifiers
- Preferred name
- 4-chloro-N-(4-chlorophenyl)benzenecarbothioamide
- IUPAC
- 4-chloro-N-(4-chlorophenyl)benzenecarbothioamide
- English name
- 4-CHLORO-N-(4-CHLOROPHENYL)BENZENECARBOTHIOAMIDE
- Molecular formula
- C13H9Cl2NS
- Molecular weight
- 282.19
Names & synonyms
4-chloro-N-(4-chlorophenyl)benzenecarbothioamideBenzenecarbothioamide, 4-chloro-N-(4-chlorophenyl)-SCHEMBL10977035AB-131/40094245
Database identifiers
- CAS
71114-55-1- PubChem CID
- 816775
- Nikkaji
- J1.248.159D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 206 · 206-207 °C
- Boiling point
- 382.1 · 382.1±52.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- pka
- 9.88 · 9.88±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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