2-(Dodecylsulfanylthiocarbonylsulfanyl)-2-methylpropionic acid

• Catalog Number: ACM461642784
• Product Name: 2-(Dodecylsulfanylthiocarbonylsulfanyl)-2-methylpropionic acid
• CAS: 461642-78-4
• Category: Heterocyclic Organic Compound
• Synonyms: 2-(DODECYLSULFANYLTHIOCARBONYLSULFANYL)-2-METHYLPROPIONIC ACID;trithiocarbonate;2-Methyl-2-[(dodecylsulfanylthiocarbonyl) sulfanyl]propanoic acid, min. 97%;2-Methyl-2-[(dodecylsulfanylthiocarbarbonyl)sulfanyl]propanoicacid,Min.97%;2-Methyl-2-[(dodecylsulfanylthiocarbonyl)sulfanyl]propanoic acid,97%;2-(Dodecylthiocarbonothioylthio)-2-Methylpropionic acid;2-[Dodecylthio(thiocarbonyl)thio]-2-methylpropionic acid;S-1-Dodecyl S-(alpha,alpha-dimethylacetic acid) trithiocarbonate
• IUPAC Name: 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoic acid
• Molecular Weight: 364.6g/mol
• Molecular Formula: C17H32O2S3
• Canonical SMILES: CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)O
• InChI: InChI=1S/C17H32O2S3/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(20)22-17(2,3)15(18)19/h4-14H2,1-3H3,(H,18,19)
• InChI Key: DZFGVGDQHQHOKZ-UHFFFAOYSA-N
• Melting Point: 62-64°C (hexane )
• Complexity: 317
• Covalently-Bonded Unit Count: 1
• Exact Mass: 364.156444g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Monoisotopic Mass: 364.156444g/mol
• Rotatable Bond Count: 15
• Safety Description: 26
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 8