Methyl [4-(Isothiocyanatomethyl)-1,3-Thiazol-2-Yl]Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C7H7N3O2S2
IUPAC Name methyl n-[4-(isothiocyanatomethyl)thiazol-2-yl]carbamate
Molecular Mass 229.279 g·mol−1
Heat of Formation -24.0 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 250.76 Å 3
Surface Area 248.3 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • methyl (4-(isothiocyanatomethyl)-2-thiazolyl)carbamate
  • methyl n-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]carbamate
  • methyl scnmtc
  • n-[4-(isothiocyanatomethyl)thiazol-2-yl]carbamic acid methyl ester
CAS Number(s)
  • 152872-07-6
InChIKey BEPWEXWVYZWWNC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N