6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one
6-amino-5-benzyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 3-methyl-5-benzyl-6-amino-2-thiouracil|NCI60_030854|6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one|6-amino-5-benzyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one|6-Amino-5-benzyl-3-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CAS: 98421-06-8
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.07793 g/mol |
| LogP | 1.61589 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.07793 |
| Monoisotopic Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 643.0357 |
Chemical Identifiers
| CAS Number | 98421-06-8 |
|---|---|
| SMILES | CN1C(=O)C(=C(NC1=S)N)CC2=CC=CC=C2 |
Product Overview
6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one (CAS 98421-06-8), with molecular formula C12H13N3OS and molecular weight 247.07793 g/mol. IUPAC: 6-amino-5-benzyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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