4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid

4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid

Also Known As: 4-Cyano-4-(thiobenzoylthio)pentanoic acid|4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid|4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid|Pentanoic acid, 4-cyano-4-[(phenylthioxomethyl)thio]-|YNKQCPNHMVAWHN-UHFFFAOYSA-|4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid|4-Cyano-4-(thiobenzoylthio)pentanoicacid|4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid|CS-W008499|4-cyano-4-thiobenzoylthiopentanoic acid|4-(Thiobenzoylthio)-4-cyanovaleric acid|4-Cyano-4-(thiobenzoylthio)valeric acid|4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid|4-(4-Cyanopentanoic Acid) Dithiobenzoate|4-(Thiobenzoylthio)-4-cyanopentanoic acid|4-Cyano-4-(thiobenzoylthio)pentanoic acid-|4-[(Thiobenzoyl)thio]-4-cyanopentanoic acid|4-Cyano-4-[(thiobenzoyl)thio]pentanoic acid|4-cyano-4-thiobenzoylsulfanyl-pentanoic acid|J1.002.582F|1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate|4-(Phenylcarbonothioylthio)-4-cyanovaleric acid|4-Cyano-4-(phenylcarbonothioylthio)valeric acid|4-(alpha-Thioxobenzylthio)-4-cyanopentanoic acid|4-Cyano-4-(alpha-thioxobenzylthio)pentanoic acid|4-Cyano-4-(phenylthioxomethylthio)pentanoic acid|4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoic Acid|4-(Phenylcarbonothioylthio)-4-cyanopentanoic acid

Molecular Formula	C13H13NO2S2
Molecular Weight	279.03876 g/mol
LogP	3.24238
Topological Polar Surface Area	61.09 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	279.03876
Monoisotopic Mass	279.03876
Heavy Atoms	18
Complexity	481.51465

Chemical Identifiers

CAS Number	201611-92-9
SMILES	CC(CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1