4-[(Benzoylcarbamothioyl)Amino]Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H12N2O3S
IUPAC Name 4-(benzoylcarbamothioylamino)benzoic acid
Molecular Mass 300.332 g·mol−1
Heat of Formation -268.6 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 336.59 Å 3
Surface Area 315.45 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(benzoylthiocarbamoylamino)benzoic acid
  • 4-(phenylcarbonylcarbamothioylamino)benzoic acid
  • 4-[[[(oxo-phenylmethyl)amino]-thioxomethyl]amino]benzoic acid
CAS Number(s)
  • 6501-65-1
InChIKey LPGWDTKKKNECGA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N