Basic information
- CAS
33965-85-4- Standard SMILES
Clc1ccc(SSc2ccccc2)cc1- InChIKey
NUWGHEZSJWEUEV-UHFFFAOYSA-N- Molecular formula
- C12H9ClS2
- Average molar mass
- 252.8 g/mol
- Monoisotopic mass
- 251.9834203
Names & identifiers
- Preferred name
- 1-Chloro-4-(phenyldithio)benzene
- IUPAC
- 1-chloro-4-(phenyldisulfanyl)benzene
Names & synonyms
1-Chloro-4-(phenyldithio)benzene33965-85-41-chloro-4-(phenyldisulfanyl)benzeneNSC52469NSC 524694-Chlorophenyl phenyl disulfide1-chloro-4-phenyldisulfanyl-benzeneSCHEMBL13446024DTXSID80187580NSC-52469DS-000417
Database identifiers
- CAS
33965-85-4- PubChem CID
- 243181
- DTXSID
DTXSID80187580- Nikkaji
- J510.821G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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