O-Phenyl Carbamothioate

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Properties Simple | Detailed

Formula C7H7NOS
IUPAC Name o-phenyl carbamothioate
Molecular Mass 153.202 g·mol−1
Heat of Formation 17.1 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 178.45 Å 3
Surface Area 180.7 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry Cs
Synonyms
  • aminomethanethioic acid o-phenyl ester
  • carbamic acid, thio-, o-phenyl ester
  • carbamic acid, thio-, phenyl ester
  • carbamic acid, thio-o-phenyl ester
  • carbamothioic acid, o-phenyl ester
  • o-phenyl aminomethanethioate
  • phenylthiocarbamate
CAS Number(s)
  • 824-88-4
InChIKey VJZNUICECYWOFV-UHFFFAOYSA-N
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