Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester structure

Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester

ethyl 2-(benzenecarbonothioylsulfanyl)-2-methylpropanoate

Also Known As: ECPDB|starbld0042898|Ethyl 2-methyl-2-((phenylcarbonothioyl)thio)propanoate|Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester|Ethyl 2-methyl-2-(phenylthiocarbonylthio)propionate|2-(ethoxycarbonyl)prop-2-yl dithiobenzoate|2-(ETHOXYCARBONYL)-2-PROPYLDITHIOBENZOATE|J1.367.752B|2-(Ethoxycarbonyl)-2-propyldithiobenzoate,ECPDB|ethyl 2-(benzenecarbonothioylsulfanyl)-2-methylpropanoate|ETHYL 2-(BENZENECARBOTHIOYLSULFANYL)-2-METHYLPROPANOATE|Ethyl 2-(benzenecarbonothioylsulfanyl)-2-methyl-propanoate|2-(alpha-Thioxobenzylthio)isobutyric acid ethyl ester|2-(Thiobenzoylthio)-2-methylpropanoic acid ethyl ester|2-Methyl-2-(thiobenzoylthio)propanoic acid ethyl ester|Dithiobenzoic acid 1-methyl-1-ethoxycarbonylethyl ester|Dithiobenzoic acid 2-(ethoxycarbonyl)propane-2-yl ester|Dithiobenzoic acid 1-(ethoxycarbonyl)-1-methylethyl ester|Dithiobenzoic acid 1-methyl-1-(ethoxycarbonyl)ethyl ester|Ethyl 2-[(benzenecarbothioyl)sulfanyl]-2-methylpropanoate|Ethyl 2-methyl-2-(phenylthiocarbonylthio)propionate, 95%|2-(alpha-Thioxobenzylthio)-2-methylpropionic acid ethyl ester|2-Methyl-2-(phenylcarbonothioylthio)propionic acid ethyl ester|2-Methyl-2-[phenyl(thiocarbonyl)thio]propanoic acid ethyl ester|N/A

CAS: 201611-84-9
Molecular Formula C13H16O2S2
Molecular Weight 268.05917 g/mol
LogP 3.437
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 268.05917
Monoisotopic Mass 268.05917
Heavy Atoms 17
Complexity 399.14032

Chemical Identifiers

CAS Number 201611-84-9
SMILES CCOC(=O)C(C)(C)SC(=S)C1=CC=CC=C1

Product Overview

Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester (CAS 201611-84-9), with molecular formula C13H16O2S2 and molecular weight 268.05917 g/mol. IUPAC: ethyl 2-(benzenecarbonothioylsulfanyl)-2-methylpropanoate.

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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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