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

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

ethyl 2-(benzenecarbonothioylsulfanyl)propanoate

Also Known As: starbld0044398|ethyl 2-(benzenecarbonothioylsulfanyl)propanoate|Ethyl 2-(phenylcarbonothioylthio)propionate|ethyl s-thiobenzoyl-2-thiopropionate|Ethyl 2-((phenylcarbonothioyl)thio)propanoate|Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester|2-(Thiobenzoylthio)propanoic acid ethyl ester|2-(Thiobenzoylthio)propionic acid ethyl ester|J1.671.823H|ETHYL 2-(BENZENECARBOTHIOYLSULFANYL)PROPANOATE|Dithiobenzoic acid 1-(ethoxycarbonyl)ethyl ester|Ethyl 2-[(benzenecarbothioyl)sulfanyl]propanoate|Dithiobenzoic acid [1-(ethoxycarbonyl)ethyl] ester|2-(alpha-Thioxobenzylthio)propionic acid ethyl ester|Propanoic acid, 2-[(phenylthioxomethyl)thi]-, ethyl ester|2-[Phenyl(thiocarbonyl)thio]propanoic acid ethyl ester|2-[(Phenylcarbonothioyl)thio]propionic acid ethyl ester|Ethyl 2-(phenylcarbonothioylthio)propionate, 97% (HPLC)|2-[(Phenylthioxomethyl)thio]propanoic acid ethyl ester,Ethyl 2-(phenylcarbonothioylthio)propanoate

CAS: 412015-83-9
Molecular Formula C12H14O2S2
Molecular Weight 254.04352 g/mol
LogP 3.0469
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 254.04352
Monoisotopic Mass 254.04352
Heavy Atoms 16
Complexity 362.54132

Chemical Identifiers

CAS Number 412015-83-9
SMILES CCOC(=O)C(C)SC(=S)C1=CC=CC=C1

Product Overview

Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester (CAS 412015-83-9), with molecular formula C12H14O2S2 and molecular weight 254.04352 g/mol. IUPAC: ethyl 2-(benzenecarbonothioylsulfanyl)propanoate.

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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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