Thiobenzoic acid O-2-(dimethylamino)ethyl ester hydrochloride

2-(benzenecarbonothioyloxy)ethyl-dimethylazanium chloride

CAS: 16994-52-8

Molecular Formula	`C11H16ClNOS`
Molecular Weight	245.77 g/mol
Topological Polar Surface Area	45.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	245.06412
Heavy Atoms	15
Complexity	176.0

Chemical Identifiers

CAS Number	16994-52-8
SMILES	`C[NH+](C)CCOC(=S)C1=CC=CC=C1.[Cl-]`
InChIKey	`OZPQYXUAARBWEY-UHFFFAOYSA-N`

📖 Product Overview

Thiobenzoic acid O-2-(dimethylamino)ethyl ester hydrochloride (CAS: 16994-52-8) is a chemical compound with molecular formula C11H16ClNOS and molecular weight 245.77 g/mol. Its IUPAC systematic name is 2-(benzenecarbonothioyloxy)ethyl-dimethylazanium chloride. Topological Polar Surface Area 45.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 245.06412 Heavy Atoms 15 Complexity 176.0 InChI Key: OZPQYXUAARBWEY-UHFFFAOYSA-N. SMILES: C[NH+](C)CCOC(=S)C1=CC=CC=C1.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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