3-(Dodecylthiocarbamoylsulfanyl)Propanoic Acid
[CAS# 6317-13-1]

Identification

• Name: 3-(Dodecylthiocarbamoylsulfanyl)Propanoic Acid
• Synonyms: 3-[[(Dodecylamino)-Thioxomethyl]Thio]Propanoic Acid; 3-(Laurylthiocarbamoylthio)Propionic Acid; Nsc40457
• Molecular Formula: C₁₆H₃₁NO₂S₂
• Molecular Weight: 333.55
• CAS Registry Number: 6317-13-1
• SMILES: C(C(O)=O)CSC(=S)NCCCCCCCCCCCC
• InChI: 1S/C16H31NO2S2/c1-2-3-4-5-6-7-8-9-10-11-13-17-16(20)21-14-12-15(18)19/h2-14H2,1H3,(H,17,20)(H,18,19)
• InChIKey: JZGXHXBFKQVVSM-UHFFFAOYSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 460.664°C at 760 mmHg (Cal.)
• Flash point: 232.402°C (Cal.)