Basic information
- CAS
66769-03-7- Standard SMILES
BrC1=C(c2ccccc2)c2ccccc2SC=C1- InChIKey
SWWGCLCCSHBMQR-UHFFFAOYSA-N- Molecular formula
- C16H11BrS
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 313.97648
Names & identifiers
- Preferred name
- 4-Bromo-5-phenyl-1-benzothiepine
- IUPAC
- 4-bromo-5-phenyl-1-benzothiepine
Names & synonyms
4-Bromo-5-phenyl-1-benzothiepine66769-03-7DTXSID30498113RefChem:290962DTXCID00448923
Database identifiers
- CAS
66769-03-7- PubChem CID
- 12433503
- DTXSID
DTXSID30498113
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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