Basic information
- CAS
82394-13-6- Standard SMILES
COc1cccc2c1SCc1ccccc1C2C[NH+](C)C.[Cl-]- InChIKey
AYNQVKLMLUOEGL-UHFFFAOYSA-N- Molecular formula
- C18H22ClNOS
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.1110632
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N,N-dimethyl-4-methoxy-, hydrochloride
- IUPAC
- (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-dimethylazanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N,N-dimethyl-4-methoxy-, hydrochloride82394-13-64-Methoxy-11-(dimethylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride6,11-Dihydro-N,N-dimethyl-4-methoxydibenzo(b,e)thiepin-11-methanamine hydrochlorideRefChem:337110
Database identifiers
- CAS
82394-13-6- PubChem CID
- 54871
Properties
Computed structural properties
- Topological polar surface area
- 39 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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