1-(1-Benzothiophen-3-yl)-2-(dibenzylamino)ethan-1-ol--hydrogen chloride (1/1)

HCID 23802

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Basic information

CAS: 7349-54-4
Standard SMILES: OC(C[NH+](Cc1ccccc1)Cc1ccccc1)c1csc2ccccc12.[Cl-]
InChIKey: UMGKGASRVZWTRM-UHFFFAOYSA-N
Molecular formula: C24H24ClNOS
Average molar mass: 410 g/mol
Monoisotopic mass: 409.1267133

Names & identifiers

Preferred name: 1-(1-Benzothiophen-3-yl)-2-(dibenzylamino)ethan-1-ol--hydrogen chloride (1/1)
IUPAC: [2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-dibenzylazanium chloride

Names & synonyms

7349-54-4DTXSID409942521-(1-Benzothiophen-3-yl)-2-(dibenzylamino)ethan-1-ol--hydrogen chloride (1/1)RefChem:1053724DTXCID301421290alpha-(Dibenzylaminomethyl)benzo(b)thiophene-3-methanol hydrochlorideBENZO(b)THIOPHENE-3-METHANOL, alpha-(DIBENZYLAMINOMETHYL)-, HYDROCHLORIDE

Database identifiers

CAS: 7349-54-4
PubChem CID: 23802

Properties

Computed structural properties

Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 412

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