Basic information
- Standard SMILES
Brc1ccc2c(c1)SCCCC2- InChIKey
BQWDXOGKZOEZMU-UHFFFAOYSA-N- Molecular formula
- C10H11BrS
- Average molar mass
- 243.17 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-2,3,4,5-tetrahydro-1-benzothiepine
- IUPAC
- 8-bromo-2,3,4,5-tetrahydro-1-benzothiepine
Names & synonyms
SCHEMBL9144105BQWDXOGKZOEZMU-UHFFFAOYSA-N8-bromo-2,3,4,5-tetrahydro-1-benzothiepine
Database identifiers
- PubChem CID
- 19935404
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Related reactions
4 records
Compound notes
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