Basic information
- CAS
16220-43-2- Standard SMILES
CN(C)CC/C=C1\c2ccccc2CS(=O)(=O)c2sccc21.Cl- InChIKey
OPXFBHUSYWHQKR-TWNLEINFSA-N- Molecular formula
- C17H20ClNO2S2
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.0623989
Names & identifiers
- Preferred name
- Thieno(2,3-c)(2)benzothiepin-delta(sup 4(9H),gamma)-propylamine, N,N-dimethyl-, 10,10-dioxide, hydrochloride
- IUPAC
- (3E)-3-(4,4-dioxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Names & synonyms
Thieno(2,3-c)(2)benzothiepin-delta(sup 4(9H),gamma)-propylamine, N,N-dimethyl-, 10,10-dioxide, hydrochloride16220-43-2RefChem:10999534-(3-Dimethylaminopropylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin-10,10-dioxide HCl
Database identifiers
- CAS
16220-43-2- PubChem CID
- 6444729
Properties
Computed structural properties
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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