[3-ethoxycarbonyl-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-4-yl]methyl-dimethylazanium chloride

CAS: 100347-60-2

Molecular Formula	`C21H24ClNO4S`
Molecular Weight	421.9 g/mol
Topological Polar Surface Area	89.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	421.11145
Heavy Atoms	28
Complexity	495.0

Chemical Identifiers

CAS Number	100347-60-2
SMILES	`CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)SC3=CC=C(C=C3)C.[Cl-]`
InChIKey	`LULPSIUETKUDTC-UHFFFAOYSA-N`

📖 Product Overview

[3-ethoxycarbonyl-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-4-yl]methyl-dimethylazanium chloride (CAS: 100347-60-2) is a chemical compound with molecular formula C21H24ClNO4S and molecular weight 421.9 g/mol. Its IUPAC systematic name is [3-ethoxycarbonyl-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-4-yl]methyl-dimethylazanium chloride. Topological Polar Surface Area 89.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 421.11145 Heavy Atoms 28 Complexity 495.0 InChI Key: LULPSIUETKUDTC-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)SC3=CC=C(C=C3)C.[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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [3-ethoxycarbonyl-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-4-yl]methyl-dimethylazanium chloride.

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