Basic information
- CAS
82394-04-5- Standard SMILES
COc1cccc2c1SCc1ccccc1C2C[NH3+].[Cl-]- InChIKey
PXGYEECDKXXTOQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClNOS
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.0797631
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-4-methoxy-, hydrochloride
- IUPAC
- (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methylazanium chloride
Names & synonyms
82394-04-56,11-Dihydro-4-methoxydibenzo(b,e)thiepin-11-methanamine hydrochloride11-(Aminomethyl)-4-methoxy-6,11-dihydrodibenzo(b,e)thiepin hydrochlorideDIBENZO(b,e)THIEPIN-11-METHANAMINE, 6,11-DIHYDRO-4-METHOXY-, HYDROCHLORIDERefChem:337108
Database identifiers
- CAS
82394-04-5- PubChem CID
- 54863
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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