2-Mercapto-5-(4-chlorobenzyl)orotic aldehyde
5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 2-Mercapto-5-(4-chlorobenzyl)orotic aldehyde|2-Mercapto-5-(p-chlorobenzyl)orotic aldehyde|4-Pyrimidinecarboxaldehyde, 5-((4-chlorophenyl)methyl)-1,2,3,6-tetrahydro-6-oxo-2-thioxo-|4-Pyrimidinecarboxaldehyde,2,3,6-tetrahydro-6-oxo-2-thioxo-|4-Pyrimidinecarboxaldehyde, 5-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydro-6-oxo-2-thioxo-|5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde|5-((4-CHLOROPHENYL)METHYL)-1,2,3,6-TETRAHYDRO-6-OXO-2-THIOXO-4-PYRIMIDINECARBOXALDEHYDE|5-[(4-Chlorophenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
| Molecular Formula | C12H9ClN2O2S |
|---|---|
| Molecular Weight | 280.00732 g/mol |
| LogP | 2.48919 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.00732 |
| Monoisotopic Mass | 280.00732 |
| Heavy Atoms | 18 |
| Complexity | 688.459 |
Chemical Identifiers
| CAS Number | 31349-81-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)Cl |
Product Overview
2-Mercapto-5-(4-chlorobenzyl)orotic aldehyde (CAS 31349-81-2), with molecular formula C12H9ClN2O2S and molecular weight 280.00732 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
2-Mercapto-5-(4-chlorobenzyl)orotic aldehyde is a custom synthesis product. We offer services from milligram to kilogram scale.
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