Basic information
- CAS
82394-02-3- Standard SMILES
[Cl-].[NH3+]CC1c2ccccc2CSc2ccccc21- InChIKey
LLFAICDXHPLYIL-UHFFFAOYSA-N- Molecular formula
- C15H16ClNS
- Average molar mass
- 277.8 g/mol
- Monoisotopic mass
- 277.0691984
Overview
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Names & identifiers
- Preferred name
- 6,11-Dihydrobenzo[c][1]benzothiepin-11-ylmethylazanium chloride
- IUPAC
- 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethylazanium chloride
Database identifiers
- CAS
82394-02-3- PubChem CID
- 54861
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
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Compound notes
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