O-Isobutyl Methylcarbamothioate

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Properties Simple | Detailed

Formula C6H13NOS
IUPAC Name o-isobutyl n-methylcarbamothioate
Molecular Mass 147.239 g·mol−1
Heat of Formation -187.4 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 195.65 Å 3
Surface Area 196.38 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • carbamic acid, methylthio-, o-isobutyl ester (8ci)
  • carbamothioic acid, methyl-, o-(2-methylpropyl) ester
  • methyl-o-(2-methylpropyl) ester of carbamothioic acid
  • methylaminomethanethioic acid o-isobutyl ester
  • methylcarbamothioic acid, o-isobutyl ester
  • o-(2-methylpropyl) methylaminomethanethioate
  • o-(2-methylpropyl) methylcarbamothioate
  • o-isobutyl methylaminomethanethioate
  • o-isobutyl methylthiocarbamate
  • o-isobutyl-n-methylthionocarbamate
CAS Number(s)
  • 14128-37-1
InChIKey PVOYFKUVGNEGHT-UHFFFAOYSA-N
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