3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
3-methyl-8-(4-methylphenyl)sulfanyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 08333544|AB00763931-01|BRD-K57111046-001-01-6|3-methyl-8-(4-methylphenyl)sulfanyl-7-prop-2-enylpurine-2,6-dione|7-Allyl-3-methyl-8-p-tolylsulfanyl-3,7-dihydro-purine-2,6-dione|3-methyl-8-[(4-methylphenyl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3-methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
CAS: 797775-61-2
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.0994 g/mol |
| LogP | 2.06892 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0994 |
| Monoisotopic Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 995.82263 |
Chemical Identifiers
| CAS Number | 797775-61-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C |
Product Overview
3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione (CAS 797775-61-2), with molecular formula C16H16N4O2S and molecular weight 328.0994 g/mol. IUPAC: 3-methyl-8-(4-methylphenyl)sulfanyl-7-prop-2-enylpurine-2,6-dione.
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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