1-(2-Chloroethyl)-1-Nitroso-3-(2-Sulfanylethyl)Urea

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Properties Simple | Detailed

Formula C5H10ClN3O2S
IUPAC Name 1-(2-chloroethyl)-1-nitroso-3-(2-sulfanylethyl)urea
Molecular Mass 211.670 g·mol−1
Heat of Formation -219.9 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 236.1 Å 3
Surface Area 224.81 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-(2-mercaptoethyl)-1-nitroso-urea
  • 1-(2-chloroethyl)-3-(2-mercaptoethyl)-1-nitrosourea
  • cnc-cysteamine
  • n'-(n-(2-chloroethyl)-n-nitroso)carbamoylcysteamine
  • n-(2-chloroethyl)-n'-(2-mercaptoethyl)-n-nitrosourea
  • urea, n-(2-chloroethyl)-n'-(2-mercaptoethyl)-n-nitroso-
CAS Number(s)
  • 90213-06-2
InChIKey YQGUBTDSVOSHEL-UHFFFAOYSA-N
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