Bis(4-chlorophenyl) carbonotrithioate
Basic information
- CAS
24455-29-6- Standard SMILES
S=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1- InChIKey
GUUHSHAWOOMFMF-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2S3
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 329.9165192
Names & identifiers
- Preferred name
- Bis(4-chlorophenyl) carbonotrithioate
- IUPAC
- bis[(4-chlorophenyl)sulfanyl]methanethione
Names & synonyms
NSC11111824455-29-6MLS000737716bis(4-chlorophenyl) carbonotrithioateSCHEMBL9542565CHEMBL1527310DTXSID40296708NSC-111118SMR000444401
Database identifiers
- CAS
24455-29-6- PubChem CID
- 269665
- DTXSID
DTXSID40296708- ChEMBL
CHEMBL1527310- Nikkaji
- J2.761.544I
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
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Compound notes
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