4-S-(Propionic Acid)Sulfidocyclophosphamide
[CAS# 70396-87-1]

Identification

• Name: 4-S-(Propionic Acid)Sulfidocyclophosphamide
• Synonyms: 3-[[2-[Bis(2-Chloroethyl)Amino]-2-Oxo-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-4-Yl]Thio]Propanoic Acid; 3-[[2-[Bis(2-Chloroethyl)Amino]-2-Keto-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-4-Yl]Thio]Propionic Acid; 2H-1,3,2-Oxazaphosphorine, Tetrahydro-2-(Bis(2-Chloroethyl)Amino)-4-((2-Carboxyethyl)Thio)-, 2-Oxide
• Molecular Formula: C₁₀H₁₉Cl₂N₂O₄PS
• Molecular Weight: 365.21
• CAS Registry Number: 70396-87-1
• SMILES: C(C(=O)O)CSC1N[P](OCC1)(=O)N(CCCl)CCCl
• InChI: 1S/C10H19Cl2N2O4PS/c11-3-5-14(6-4-12)19(17)13-9(1-7-18-19)20-8-2-10(15)16/h9H,1-8H2,(H,13,17)(H,15,16)
• InChIKey: VGLDEEJEJWQCBP-UHFFFAOYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 518.021°C at 760 mmHg (Cal.)
• Flash point: 267.09°C (Cal.)