Tris[2-(3-mercaptopropionyloxy)ethyl] Isocyanurate

• Catalog Number: ACM-MO-36196448
• Product Name: Tris[2-(3-mercaptopropionyloxy)ethyl] Isocyanurate
• CAS: 36196-44-8
• Category: Main Products
• Synonyms: Isocyanuric Acid Tris[2-(3-mercaptopropionyloxy)ethyl] Ester
• IUPAC Name: 2-[2,4,6-trioxo-3,5-bis[2-(3-sulfanylpropanoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-sulfanylpropanoate
• Molecular Weight: 525.61 g/mol
• Molecular Formula: C18H27N3O9S3
• Canonical SMILES: C(CS)C(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)CCS)CCOC(=O)CCS
• InChI: InChI=1S/C18H27N3O9S3/c22-13(1-10-31)28-7-4-19-16(25)20(5-8-29-14(23)2-11-32)18(27)21(17(19)26)6-9-30-15(24)3-12-33/h31-33H,1-12H2
• InChI Key: CFKONAWMNQERAG-UHFFFAOYSA-N
• Flash Point: 366 °C
• Density: 1.333 g/mL
• Appearance: Colorless to Light Yellow to Light Orange Clear Liquid
• Complexity: 619
• Covalently-Bonded Unit Count: 1
• EC Number: 252-907-8
• Exact Mass: 525.090943g/mol
• Formal Charge: 0
• H-Bond Acceptor: 12
• H-Bond Donor: 3
• Heavy Atom Count: 33
• Monoisotopic Mass: 525.090943g/mol
• Physical State: Liquid
• Rotatable Bond Count: 18
• XLogP3: -0.3