Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester structure

Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester

(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxysulfanyl-oxophosphanium

Also Known As: Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester|(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxysulfanyl-oxophosphanium

CAS: 68906-22-9
Molecular Formula C8H14O6PS2+
Molecular Weight 300.99695 g/mol
LogP 2.4681
Topological Polar Surface Area 89.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 8
Exact Mass 300.99695
Monoisotopic Mass 300.99695
Heavy Atoms 17
Complexity 285.18896

Chemical Identifiers

CAS Number 68906-22-9
SMILES CCOC(=O)CC(C(=O)OCC)S[P+](=O)SO

Product Overview

Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester (CAS 68906-22-9), with molecular formula C8H14O6PS2+ and molecular weight 300.99695 g/mol. IUPAC: (1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxysulfanyl-oxophosphanium.

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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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