Basic information
- CAS
25562-43-0- Standard SMILES
O=C(O)c1ccccc1SSc1ccc(Cl)cc1- InChIKey
KVCRNYQZAMPNQU-UHFFFAOYSA-N- Molecular formula
- C13H9ClO2S2
- Average molar mass
- 296.8 g/mol
- Monoisotopic mass
- 295.9732496
Names & identifiers
- Preferred name
- Benzoic acid, o-((p-chlorophenyl)dithio)-
- IUPAC
- 2-[(4-chlorophenyl)disulfanyl]benzoic acid
Names & synonyms
o-((p-Chlorophenyl)dithio)benzoic acidBENZOIC ACID, o-((p-CHLOROPHENYL)DITHIO)-25562-43-0DTXSID00180255RefChem:327752DTXCID101027462-[(4-chlorophenyl)disulfanyl]benzoic acid
Database identifiers
- CAS
25562-43-0- PubChem CID
- 33091
- DTXSID
DTXSID00180255- Nikkaji
- J87.183D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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