Basic information
- CAS
42505-76-0- Standard SMILES
CN(C)CC/C=C1/c2ccccc2CSc2sccc21.Cl- InChIKey
KTFGSVWWMYCIJB-ZTXYIFKNSA-N- Molecular formula
- C17H20ClNS2
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.0725697
Names & identifiers
- Preferred name
- Bisulepin hydrochloride, (Z)-
- IUPAC
- (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Names & synonyms
cis-Dithiaden hydrochlorideFZI628IQ8SBisulepin hydrochloride, (Z)-UNII-FZI628IQ8S1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, hydrochloride, (Z)-DITHIADEN HYDROCHLORIDE, (Z)-42505-76-0RefChem:199919
Database identifiers
- CAS
42505-76-0- PubChem CID
- 6445826
- UNII
- FZI628IQ8S
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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