Pentanoic acid,4-cyano-4-[[(dodecylthio)thioxomethyl]thio]-

• CAS: 870196-80-8
• Catalog Number: ACM870196808
• Category: Other Products
• Molecular Weight: 403.7g/mol
• Molecular Formula: C19H33NO2S3
• IUPAC Name: 4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid
• Canonical SMILES: CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N
• InChI: InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)
• InChI Key: RNTXYZIABJIFKQ-UHFFFAOYSA-N
• Complexity: 434
• Covalently-Bonded Unit Count: 1
• Exact Mass: 403.167343g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Heavy Atom Count: 25
• Monoisotopic Mass: 403.167343g/mol
• Rotatable Bond Count: 17
• XLogP3: 7.6