5-(Acetylsulfanyl)-pentanenitrile,s-(4-cyanobutyl)ethanethioate,thiolacetylpentanenitrile

• CAS: 252949-42-1
• Catalog Number: ACM252949421
• Category: Biomaterials
• Molecular Weight: 157.24g/mol
• Molecular Formula: C7H11NOS
• Synonyms: 5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile;S-(4-Cyanobutyl)thioacetate
• IUPAC Name: S-(4-cyanobutyl) ethanethioate
• SMILES: CC(=O)SCCCCC#N
• InChI: InChI=1S/C7H11NOS/c1-7(9)10-6-4-2-3-5-8/h2-4,6H2,1H3
• InChI Key: QZCVGPWTKIYEIZ-UHFFFAOYSA-N
• Complexity: 147
• Covalently-Bonded Unit Count: 1
• Exact Mass: 157.056135g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 157.056135g/mol
• Rotatable Bond Count: 5
• XLogP3: 1.1