5-(2-Thienylmethylene)-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C9H6N2O2S2
IUPAC Name 5-(2-thienylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 238.286 g·mol−1
Heat of Formation -66.2 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 250.89 Å 3
Surface Area 234.06 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6(1h,5h)-pyrimidinedione, dihydro-5-(2-thienylmethylene)-2-thioxo-
  • 5-(2-thienylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 5-(2-thienylmethylene)-2-thioxohexahydropyrimidine-4,6-dione
  • 5-(2-thiophene)-2-thiobarbituric acid
  • 5-(2-thiophenylidene)-2-thiobarbituric acid
  • 5-ttba
  • dihydro-5-(2-thienylmethylene)-2-thioxo-4,6(1h,5h)-pyrimidinedione
  • sdccgmls-0064755.p001
  • stk188381
CAS Number(s)
  • 120244-32-8
InChIKey WCJYQNYSKWLZTR-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