6-Amino-5-Methyl-2-Sulfanylpyrimidine-4-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C6H7N3O2S
IUPAC Name 4-amino-5-methyl-2-thioxo-1h-pyrimidine-6-carboxylic acid
Molecular Mass 185.204 g·mol−1
Heat of Formation -194.3 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 197.68 Å 3
Surface Area 196.22 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-thio-6-amino-5-methyl-4-carboxy pyrimidine
  • 4-pyrimidinecarboxylic acid, 1,2-dihydro-6-amino-5-methyl-2-thioxo-
  • 4-pyrimidinecarboxylic acid, 6-amino-2-mercapto-5-methyl-
  • 6-amino-2-mercapto-5-methyl-4-pyrimidinecarboxylic acid
  • 6-amino-2-mercapto-5-methylpyrimidine-4-carboxylic acid
  • 6-amino-5-methyl-2-sulfanylidene-3h-pyrimidine-4-carboxylic acid
  • 6-amino-5-methyl-2-thioxo-3h-pyrimidine-4-carboxylic acid
CAS Number(s)
  • 13166-59-1
InChIKey KXANUQWRDRBGIC-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