Methyl {[2-Nitro-4-(Trifluoromethyl)Phenyl]Carbamothioyl}Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H8F3N3O4S
IUPAC Name methyl n-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]carbamate
Molecular Mass 323.248 g·mol−1
Heat of Formation 282.0 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 315.51 Å 3
Surface Area 278.26 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -3.59 ± eV
Point Group Symmetry C1
Synonyms
  • carbamic acid, (((2-nitro-4-(trifluoromethyl)phenyl)amino)thioxomethyl)-, methyl ester
  • methyl (((2-nitro-4-(trifluoromethyl)phenyl)amino)thioxomethyl)carbamate
  • methyl n-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]carbamate
  • n-[[2-nitro-4-(trifluoromethyl)phenyl]thiocarbamoyl]carbamic acid methyl ester
  • n-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]-thioxomethyl]carbamic acid methyl ester
  • n-methoxycarbonyl n'-2-nitro-4-trifluoromethylphenyl thiourea
  • nmntpt
CAS Number(s)
  • 129625-34-9
InChIKey SOBJHZWSIPYINO-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S N C O F