N,N'-1,2-Ethanediylbis{2-[(2-Chloroethyl)Sulfanyl]Acetamide}

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Properties Simple | Detailed

Formula C10H18Cl2N2O2S2
IUPAC Name 2-(2-chloroethylsulfanyl)-n-[2-[[2-(2-chloroethylsulfanyl)acetyl]amino]ethyl]acetamide
Molecular Mass 333.298 g·mol−1
Heat of Formation -541.9 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 375.65 Å 3
Surface Area 290.38 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-chloroethylsulfanyl)-n-[2-[2-(2-chloroethylsulfanyl)ethanoylamino]ethyl]ethanamide
  • 2-(2-chloroethylthio)-n-[2-[[2-(2-chloroethylthio)-1-oxoethyl]amino]ethyl]acetamide
  • 2-(2-chloroethylthio)-n-[2-[[2-(2-chloroethylthio)acetyl]amino]ethyl]acetamide
  • acetamide, n,n'-1,2-ethanediylbis(2-((2-chloroethyl)thio)- (9ci)
  • acetamide, n,n'-1,2-ethanediylbis[2-[(2-chloroethyl)thio]-
  • acetamide, n,n'-ethylenebis(2-((2-chloroethyl)thio)-
  • acetamide, n,n'-ethylenebis[2-[(2-chloroethyl)thio]-
  • n,n'-ethylene-bis(2-chloroethylthio)acetamide
  • n,n'-ethylenebis((2-chloroethylthio)acetamide)
  • n,n'-ethylenebis[(2-chloroethyl)thio]acetamide
  • s 46
  • s 46 (van)
  • s-176 mustard
CAS Number(s)
  • 870-05-3
InChIKey UFNLPKGIMRMNLG-UHFFFAOYSA-N
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