Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride

[1-(1-benzothiophene-3-carbonyloxy)-2-methylpropan-2-yl]-dimethylazanium chloride

CAS: 85179-98-2

Molecular Formula	`C15H20ClNO2S`
Molecular Weight	313.8 g/mol
Topological Polar Surface Area	59.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	313.09033
Heavy Atoms	20
Complexity	330.0

Chemical Identifiers

CAS Number	85179-98-2
SMILES	`CC(C)(COC(=O)C1=CSC2=CC=CC=C21)[NH+](C)C.[Cl-]`
InChIKey	`HAYXKRNMCCWTCG-UHFFFAOYSA-N`

📖 Product Overview

Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride (CAS: 85179-98-2) is a chemical compound with molecular formula C15H20ClNO2S and molecular weight 313.8 g/mol. Its IUPAC systematic name is [1-(1-benzothiophene-3-carbonyloxy)-2-methylpropan-2-yl]-dimethylazanium chloride. Topological Polar Surface Area 59.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 313.09033 Heavy Atoms 20 Complexity 330.0 InChI Key: HAYXKRNMCCWTCG-UHFFFAOYSA-N. SMILES: CC(C)(COC(=O)C1=CSC2=CC=CC=C21)[NH+](C)C.[Cl-].

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