Ethyl 2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Basic information
- CAS
332025-18-0- Standard SMILES
CCOC(=O)c1cc(=S)[nH]c(=O)[nH]1- InChIKey
IBNRXPQQFFRTEQ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3S
- Average molar mass
- 200.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
- IUPAC
- ethyl 2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylate
- English name
- 4-Pyrimidinecarboxylicacid,1,2,3,6-tetrahydro-2-oxo-6-thioxo-,ethylester(9CI)
- Molecular formula
- C7H8N2O3S
- Molecular weight
- 200.21
Names & synonyms
332025-18-0Ethyl 2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylateAKOS000519596SR-01000312809SR-01000312809-1Ethyl2-oxo-6-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2-oxo-6-thioxo-, ethyl ester4-Pyrimidinecarboxylicacid,1,2,3,6-tetrahydro-2-oxo-6-thioxo-,ethylester(9CI)
Database identifiers
- CAS
332025-18-0
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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