Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride

HCID 23862

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Basic information

CAS: 7384-96-5
Standard SMILES: CC[NH+](CCCl)Cc1csc2ccc(Cl)cc12.[Cl-]
InChIKey: RGNZBLKITQGIEG-UHFFFAOYSA-N
Molecular formula: C13H16Cl3NS
Average molar mass: 324.7 g/mol
Monoisotopic mass: 323.006904

Names & identifiers

Preferred name: Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
IUPAC: (5-chloro-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride

Names & synonyms

Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride7384-96-5RefChem:10788355-Chloro-N-(2-chloroethyl)-N-ethylbenzo(b)thiophene hydrochloride

Database identifiers

CAS: 7384-96-5
PubChem CID: 23862

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 239

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