8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: NCIOpen2_003766|8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione|8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|8-Aethylmercapto-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
CAS: 56573-89-8
| Molecular Formula | C9H12N4O2S |
|---|---|
| Molecular Weight | 240.0681 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0681 |
| Monoisotopic Mass | 240.0681 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 56573-89-8 |
|---|---|
| SMILES | CCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | YZNKEEVKCAFYAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (52 patents)
Pharmaceutical Intermediates (25 patents)
Product Overview
8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 56573-89-8), with molecular formula C9H12N4O2S and molecular weight 240.0681 g/mol. IUPAC: 8-ethylsulfanyl-1,3-dimethyl-7H-purine-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 →
8-(Ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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