5alpha-[N-(Nitrosocarbamoyl)-N-(2-Chloroethyl)Amino]-2beta-Methyl-1,3-Dithiane 1,1,3,3-Tetraoxide
[CAS# 69226-03-5]

Identification

• Name: 5alpha-[N-(Nitrosocarbamoyl)-N-(2-Chloroethyl)Amino]-2beta-Methyl-1,3-Dithiane 1,1,3,3-Tetraoxide
• Synonyms: 1-(2-Chloroethyl)-1-(2-Methyl-1,1,3,3-Tetraoxo-1,3-Dithian-5-Yl)-3-Nitroso-Urea; 1-(2-Chloroethyl)-3-Nitroso-1-(1,1,3,3-Tetraketo-2-Methyl-1,3-Dithian-5-Yl)Urea; Urea, 1-(2-Chloroethyl)-1-(2-Methyl-1,1,3,3-Tetraoxo-M-Dithian-5-Yl)-3-Nitroso-, (E)-
• Molecular Formula: C₈H₁₄ClN₃O₆S₂
• Molecular Weight: 347.79
• CAS Registry Number: 69226-03-5
• SMILES: [C@@H]1([S](CC(N(C(=O)NN=O)CCCl)C[S]1(=O)=O)(=O)=O)C
• InChI: 1S/C8H14ClN3O6S2/c1-6-19(15,16)4-7(5-20(6,17)18)12(3-2-9)8(13)10-11-14/h6-7H,2-5H2,1H3,(H,10,13,14)/t6-,7?
• InChIKey: RZPYDMYVRKPJML-MWMPHFAGSA-N

Properties

• Density: 1.767g/cm³ (Cal.)