1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione
1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione
Also Known As: THAO|NCIOpen2_006590|KST-1B7003|1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione|Theophylline,8,8'-trimethylenebis(2-thio|1,3-dimethyl-8-(sulfanylmethyl)-3,7-dihydro-1h-purine-2,6-dione|5,6,7,8-Tetrahydro-4H-isoxazolo(4,5-c)azepin-3-ol|1,3-Dimethyl-8-(sulfanylmethyl)-3,9-dihydro-1H-purine-2,6-dione|1H-Purine-2,6-dione,3,9-dihydro-8-(mercaptomethyl)-1,3-dimethyl-
| Molecular Formula | C8H10N4O2S |
|---|---|
| Molecular Weight | 226.05244 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.05244 |
| Monoisotopic Mass | 226.05244 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 65202-72-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CS |
| InChIKey | QGVAUWIXMHZBST-UHFFFAOYSA-N |
Product Overview
1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione (CAS 65202-72-4), with molecular formula C8H10N4O2S and molecular weight 226.05244 g/mol. IUPAC: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione.
1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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