S-[3-[3,5-Bis(3-Acetylsulfanylpropyl)-2,4,6-Trioxo-1,3,5-Triazinan-1-Yl]Propyl] Ethanethioate
[CAS# 76486-41-4]

Identification

• Name: S-[3-[3,5-Bis(3-Acetylsulfanylpropyl)-2,4,6-Trioxo-1,3,5-Triazinan-1-Yl]Propyl] Ethanethioate
• Synonyms: Ethanethioic Acid S-[3-[3,5-Bis[3-(Acetylthio)Propyl]-2,4,6-Trioxo-1,3,5-Triazinan-1-Yl]Propyl] Ester; Ethanethioic Acid S-[3-[3,5-Bis[3-(Acetylthio)Propyl]-2,4,6-Triketo-1,3,5-Triazinan-1-Yl]Propyl] Ester; S-[3-[3,5-Bis(3-Ethanoylsulfanylpropyl)-2,4,6-Trioxo-1,3,5-Triazinan-1-Yl]Propyl] Ethanethioate
• Molecular Formula: C₁₈H₂₇N₃O₆S₃
• Molecular Weight: 477.61
• CAS Registry Number: 76486-41-4
• SMILES: C(N1C(N(C(N(C1=O)CCCSC(=O)C)=O)CCCSC(=O)C)=O)CCSC(=O)C
• InChI: 1S/C18H27N3O6S3/c1-13(22)28-10-4-7-19-16(25)20(8-5-11-29-14(2)23)18(27)21(17(19)26)9-6-12-30-15(3)24/h4-12H2,1-3H3
• InChIKey: JZMSBNFUCLQRTP-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 624.528°C at 760 mmHg (Cal.)
• Flash point: 331.503°C (Cal.)