4-S-(Hexane-6-Ol)Sulfidocyclophosphamide
[CAS# 70396-85-9]

Identification

• Name: 4-S-(Hexane-6-Ol)Sulfidocyclophosphamide
• Synonyms: 6-[[2-[Bis(2-Chloroethyl)Amino]-2-Oxo-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-4-Yl]Thio]Hexan-1-Ol; 6-[[2-[Bis(2-Chloroethyl)Amino]-2-Keto-1-Oxa-3-Aza-2$L^{5}-Phosphacyclohex-4-Yl]Thio]Hexan-1-Ol; 1-Hexanol, 6-((2-(Bis(2-Chloroethyl)Amino)Tetrahydro-2H-1,3,2-Oxazaphosphorin-4-Yl)Thio)-, P-Oxide
• Molecular Formula: C₁₃H₂₇Cl₂N₂O₃PS
• Molecular Weight: 393.31
• CAS Registry Number: 70396-85-9
• SMILES: C(CCCCCSC1N[P](OCC1)(N(CCCl)CCCl)=O)O
• InChI: 1S/C13H27Cl2N2O3PS/c14-6-8-17(9-7-15)21(19)16-13(5-11-20-21)22-12-4-2-1-3-10-18/h13,18H,1-12H2,(H,16,19)
• InChIKey: VHWQUKUUTISGJN-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 505.98°C at 760 mmHg (Cal.)
• Flash point: 259.808°C (Cal.)