4-[N-(2-TOLYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID

SpectraBase Compound ID	4rYsiv8O6us
InChI	InChI=1S/C12H15NO2S2/c1-9-5-2-3-6-10(9)13-12(16)17-8-4-7-11(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKey	CPVBLXMOJFGZOE-UHFFFAOYSA-N Google Search
Mol Weight	269.38 g/mol
Molecular Formula	C12H15NO2S2
Exact Mass	269.054421 g/mol

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SpectraBase Spectrum ID	LbK0bOmBLX4
Name	4-[N-(2'-Tolylthiocarbamoyl)thio]butyric acid
Alternate Name(s)	4-[[(2-methylanilino)-sulfanylidenemethyl]thio]butanoic acid 4-(o-tolylcarbamothioylsulfanyl)butanoic acid 4-[(2-methylphenyl)carbamothioylsulfanyl]butanoic acid
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H15NO2S2
InChI	InChI=1S/C12H15NO2S2/c1-9-5-2-3-6-10(9)13-12(16)17-8-4-7-11(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKey	CPVBLXMOJFGZOE-UHFFFAOYSA-N
Molecular Weight	269.377 g/mol
SMILES	N(C(SCCCC(=O)O)=S)c1c(C)cccc1
SPLASH	splash10-0002-0900000000-4d3ce8bd02e881b30366
Source of Spectrum	Y-36-1170-3
Wiley ID	762457