Ethyl 4-Hydroxy-2-Mercaptopyrimidine-5-Carboxylate

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Properties Simple | Detailed

Formula C7H8N2O3S
IUPAC Name ethyl 4-oxo-2-thioxo-1h-pyrimidine-5-carboxylate
Molecular Mass 200.215 g·mol−1
Heat of Formation -421.5 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 218.37 Å 3
Surface Area 215.96 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2-mercapto-5-carbethoxyuracil
  • 2-thioisoorotic acid ethyl ester
  • 4-hydroxy-2-mercapto-5-pyrimidinecarboxylic acid ethyl ester
  • 4-keto-2-thioxo-1h-pyrimidine-5-carboxylic acid ethyl ester
  • 4-oxo-2-thioxo-1h-pyrimidine-5-carboxylic acid ethyl ester
  • 5-carbethoxy-2-thiouracil
  • 5-carbethoxy-4-hydroxy-2-mercaptopyrimidine
  • 5-carboethoxy-2-thiouracil
  • 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thio-, ethyl ester
  • 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thio-, ethyl ester (8ci)
  • 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester
  • 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester (9ci)
  • 5-pyrimidinecarboxylic acid, 4-hydroxy-2-mercapto-, ethyl ester
  • btb 10802
  • ethyl 2-thiouracil-5-carboxylate
  • ethyl 4-oxo-2-thioxo-1h-pyrimidine-5-carboxylate
  • sr-01000635476-1
  • uracil, 5-carbethoxy-2-thio-
CAS Number(s)
  • 38026-46-9
InChIKey FQFSHLBWRUOCPX-UHFFFAOYSA-N
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