Basic information
- CAS
67438-09-9- Standard SMILES
O=C(Sc1cccc(Br)c1)c1ccccc1- InChIKey
CUWHINUHBVPUQZ-UHFFFAOYSA-N- Molecular formula
- C13H9BrOS
- Average molar mass
- 293.18 g/mol
- Monoisotopic mass
- 291.95575
Names & identifiers
- Preferred name
- s-(3-Bromophenyl) benzenecarbothioate
- IUPAC
- S-(3-bromophenyl) benzenecarbothioate
Names & synonyms
67438-09-9s-(3-bromophenyl) benzenecarbothioateNSC116377DTXSID20986711NSC-116377
Database identifiers
- CAS
67438-09-9- PubChem CID
- 272136
- DTXSID
DTXSID20986711
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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