4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-
4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: Mercaptoorotic acid|2-Thioorotic acid|6-Carboxy-2-thiouracil|Orotic acid, 2-thio-|2-Thioorotic acid (VAN)|2-THIOOROTICACID|2-Thiouracil-4-carboxylic acid|6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid|NCIStruc1_000209|NCIStruc2_000287|4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-|Orotic acid, 2-thio-(VAN)|Ethyl 1-piperidinecarboximidoate|Orotic acid, 2-thio- (VAN)|2-Thioorotic acid - 10G 10g|AKOS 215-27|ZERO/005610|AI3-26587|Orotic acid, 2-thio-(VAN) (8CI)|4-Oxo-2-thioxo-1H-pyrimidine-6-carboxylic acid|6-hydroxy-2-mercapto-4-pyrimidinecarboxylic acid|NCGC00013465-02|NCGC00096580-01|4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
| Molecular Formula | C5H4N2O3S |
|---|---|
| Molecular Weight | 171.99426 g/mol |
| LogP | 0.13069 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.99426 |
| Monoisotopic Mass | 171.99426 |
| Heavy Atoms | 11 |
| Complexity | 362.95428 |
Chemical Identifiers
| CAS Number | 6953-78-2 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)C(=O)O |
Product Overview
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- (CAS 6953-78-2), with molecular formula C5H4N2O3S and molecular weight 171.99426 g/mol. IUPAC: 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- is a custom synthesis product. We offer services from milligram to kilogram scale.
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