Basic information
- CAS
21609-68-7- Standard SMILES
CC[NH+](CC)C1CCSc2ccccc2C1=O.[Cl-]- InChIKey
SQRBOGICKPRXMQ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNOS
- Average molar mass
- 285.8 g/mol
- Monoisotopic mass
- 285.0954131
Names & identifiers
- Preferred name
- 4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)
- IUPAC
- diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride
Names & synonyms
21609-68-7DTXSID809442114-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)RefChem:1070083DTXCID8013725633,4-Dihydro-4-(diethylamino)-1-benzothiepin-5(2H)-one hydrochloride4-Diethylamino-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride1-BENZOTHIEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-(DIETHYLAMINO)-, HYDROCHLORIDE
Database identifiers
- CAS
21609-68-7- PubChem CID
- 30705
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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