N-[4-(Isothiocyanatomethyl)-1,3-Thiazol-2-Yl]Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C12H9N3OS2
IUPAC Name n-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide
Molecular Mass 275.349 g·mol−1
Heat of Formation 272.4 ± 16.7 kJ·mol−1
Dipole Moment 7.79 ± 1.08 D
Volume 295.21 Å 3
Surface Area 278.01 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-benzamido-4-(isothiocyanatomethyl)thiazole
  • 2-bzcon-scnt
  • benzamide, n-(4-(isothiocyanatomethyl)-2-thiazolyl)-
  • n-(4-(isothiocyanatomethyl)-2-thiazolyl)benzamide
  • n-[4-(isothiocyanatomethyl)-2-thiazolyl]benzamide
  • n-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide
CAS Number(s)
  • 152531-50-5
InChIKey ZWWCCCPUMWBZMQ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N