[(Cyclohexylcarbamothioyl)Sulfanyl]Methyl Acetate

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Properties Simple | Detailed

Formula C10H17NO2S2
IUPAC Name cyclohexylcarbamothioylsulfanylmethyl acetate
Molecular Mass 247.377 g·mol−1
Heat of Formation -393.7 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 295.18 Å 3
Surface Area 259.46 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • acetic acid (cyclohexylthiocarbamoylthio)methyl ester
  • acetic acid [[(cyclohexylamino)-thioxomethyl]thio]methyl ester
  • carbamodithioic acid, cyclohexyl-, (acetyloxy)methyl ester
  • cyclohexylcarbamothioylsulfanylmethyl ethanoate
  • cyclohexyldithiocarbamate
CAS Number(s)
  • 51300-97-1
InChIKey KNWOZPZNWUMDTO-UHFFFAOYSA-N
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