(4-Methylphenylthio)acetic acid triethanolamine

2-(4-methylphenyl)sulfanylacetate;tris(2-hydroxyethyl)azanium

CAS: 102582-88-7

Molecular Formula	`C15H25NO5S`
Molecular Weight	331.4 g/mol
Topological Polar Surface Area	131.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	331.14536
Heavy Atoms	22
Complexity	201.0

Chemical Identifiers

CAS Number	102582-88-7
SMILES	`CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH+](CCO)CCO`
InChIKey	`KOOKZKIVNMVZBT-UHFFFAOYSA-N`

📖 Product Overview

(4-Methylphenylthio)acetic acid triethanolamine (CAS: 102582-88-7) is a chemical compound with molecular formula C15H25NO5S and molecular weight 331.4 g/mol. Its IUPAC systematic name is 2-(4-methylphenyl)sulfanylacetate;tris(2-hydroxyethyl)azanium. Topological Polar Surface Area 131.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 331.14536 Heavy Atoms 22 Complexity 201.0 InChI Key: KOOKZKIVNMVZBT-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH+](CCO)CCO.

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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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