4-Cyano-4-(thiobenzoylthio)pentanoic acid

• CAT Number: M001066
• CAS Number: 201611-92-9
• Molecular Formula: C13H13NO2S2
• Molecular Weight: 279.37
• Purity: ≥95%
• Synonyms: 4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID;4-Cyano-4-(thiobenzoylthio)pentanoic acid, min. 97%;4-(benzenecarbothioylsulfanyl)-4-cyano-4-Methylbutanoic acid;4-Cyano-4-(thiobenzoylthio)pentanoic acid,97%;1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate;4-
• Storage: RT
• IUPAC Name: 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid
• InChI: InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)
• InChIKey: YNKQCPNHMVAWHN-UHFFFAOYSA-N
• SMILES: CC(CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1

4-Cyano-4-(thiobenzoylthio)pentanoic acid（Cat No.:M001066） is a chemically complex molecule that contains a cyano group (-CN), a thiobenzoylthio substituent, and a pentanoic acid backbone. The presence of the cyano group adds to the molecule’s reactivity, particularly in facilitating nitrile reactions. The thiobenzoylthio group is a sulfur-containing moiety that contributes to the molecule’s potential as an intermediate in the synthesis of pharmaceuticals and agrochemicals, offering functionalities crucial for biological activities. This compound’s structure allows for versatility in chemical transformations, making it valuable for developing new materials with specific properties in advanced chemical research.