Basic information
- CAS
42505-78-2- Standard SMILES
CNCC/C=C1\c2ccccc2CSc2sccc21.Cl- InChIKey
JTKSNIIMTHPAAC-FJUODKGNSA-N- Molecular formula
- C16H18ClNS2
- Average molar mass
- 323.9 g/mol
- Monoisotopic mass
- 323.0569196
Names & identifiers
- Preferred name
- 1-Propanamine, N-methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, hydrochloride, (E)-
- IUPAC
- (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Names & synonyms
1-Propanamine, N-methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, hydrochloride, (E)-42505-78-2RefChem:1056872trans-4-(3-Methylaminopropylidene)-9H-thieno(2,3-b)benzo(e)thiepin hydrochloridetrans-N-Methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine hydrochloride
Database identifiers
- CAS
42505-78-2- PubChem CID
- 6445827
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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