Basic information
- CAS
23772-24-9- Standard SMILES
C[NH+](C)CCC1c2ccccc2C(=O)c2ccccc2S1(=O)=O.[Cl-]- InChIKey
BSKDATPWBNJOEA-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO3S
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.0852424
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-11(6H)-one, 6-(2-(dimethylamino)ethyl)-, 5,5-dioxide, hydrochloride
- IUPAC
- dimethyl-[2-(5,5,11-trioxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium chloride
Names & synonyms
Dibenzo(b,e)thiepin-11(6H)-one, 6-(2-(dimethylamino)ethyl)-, 5,5-dioxide, hydrochloride6-(2-Dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin-11-one 5,5-dioxide hydrochloride23772-24-9RefChem:337091
Database identifiers
- CAS
23772-24-9- PubChem CID
- 32090
Properties
Computed structural properties
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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