Benzo(e)naphtho(1,2-b)thiepin, 7,12-dihydro-7-(3-(dimethylamino)propylidene)-, hydrochloride

HCID 6433247

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Basic information

CAS: 1167-88-0
Standard SMILES: C[NH+](C)CC/C=C1/c2ccccc2CSc2c1ccc1ccccc21.[Cl-]
InChIKey: YFHOKVZSYPLNFG-SDKPGJOKSA-N
Molecular formula: C23H24ClNS
Average molar mass: 382 g/mol
Monoisotopic mass: 381.1317986

Names & identifiers

Preferred name: Benzo(e)naphtho(1,2-b)thiepin, 7,12-dihydro-7-(3-(dimethylamino)propylidene)-, hydrochloride
IUPAC: dimethyl-[(3Z)-3-(10-thiatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ylidene)propyl]azanium chloride

Names & synonyms

Benzo(e)naphtho(1,2-b)thiepin, 7,12-dihydro-7-(3-(dimethylamino)propylidene)-, hydrochloride1167-88-0RefChem:10788393,4-Benzo-6,11-dihydro-11-(3-(dimethylamino)propylidene)dibenz(b,e)thiepin hydrochloride

Database identifiers

CAS: 1167-88-0
PubChem CID: 6433247

Properties

Computed structural properties

Topological polar surface area: 29.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 471

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