AC1O3VKV
8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione|8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione|8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS: 313552-34-0
| Molecular Formula | C13H15ClN4O2S |
|---|---|
| Molecular Weight | 326.06042 g/mol |
| LogP | 1.844 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.06042 |
| Monoisotopic Mass | 326.06042 |
| Heavy Atoms | 21 |
| Complexity | 827.0344 |
Chemical Identifiers
| CAS Number | 313552-34-0 |
|---|---|
| SMILES | C/C(=C\CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C)/Cl |
Product Overview
AC1O3VKV (CAS 313552-34-0), with molecular formula C13H15ClN4O2S and molecular weight 326.06042 g/mol. IUPAC: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-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.
View MSDS →
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