1-(2-Chloroethyl)-3-[2-(Methylsulfonyl)Ethyl]-1-Nitrosourea

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Properties Simple | Detailed

Formula C6H12ClN3O4S
IUPAC Name 1-(2-chloroethyl)-3-(2-methylsulfonylethyl)-1-nitroso-urea
Molecular Mass 257.695 g·mol−1
Heat of Formation -578.3 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 274.97 Å 3
Surface Area 255.4 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-(2-mesylethyl)-1-nitroso-urea
  • 1-(2-chloroethyl)-3-(2-methylsulfonylethyl)-1-nitrosourea
  • cmso2en2
  • cystemustine
  • n'-(2-chloroethyl)-n-(2-(methylsulfonyl)ethyl)-n'-nitrosourea
  • n-(2-chloroethyl)-n'-(2-(methylsulfonyl)ethyl)-n-nitrosourea
  • urea, n-(2-chloroethyl)-n'-(2-(methylsulfonyl)ethyl)-n-nitroso-
CAS Number(s)
  • 79955-36-5
InChIKey IUOVOJHLRFQQNS-UHFFFAOYSA-N
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