1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one (CAS 4791-34-8) — formula C8H10N4OS2, molecular weight 242.3; category organic chemicals.
| CAS Number | 4791-34-8 |
|---|---|
| Molecular Formula | C8H10N4OS2 |
| Molecular Weight | 242.3 |
| LogP | 1.1 |
| Category | Organic Chemicals |
1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one is a carbon-based organic compound with CAS registry number 4791-34-8 and molecular formula C8H10N4OS2 (molecular weight 242.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4791-34-8
Its molecular formula C8H10N4OS2 comprises 8 C, 10 H, 4 N, 1 O, 2 S atoms.
Also known as: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one · 1,3,6,7-四氢-1,3-二甲基-8-(甲硫基)-6-硫代-2H-嘌呤-2-酮
Category: organic chemicals
The CAS registry number of 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one is 4791-34-8.
Molecular formula C8H10N4OS2, molecular weight 242.3.
It is also registered under: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one, 1,3,6,7-四氢-1,3-二甲基-8-(甲硫基)-6-硫代-2H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one (CAS 4791-34-8), compiled from public chemistry databases.
| CAS 号 | 4791-34-8 |
|---|---|
| PubChem CID | 3034525 |
| 分子式 | C8H10N4OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-methylsulfanyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | 29H5UXZ2VK |
| Molecular Weight | 242.3 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 242.02960330 |
| Monoisotopic Mass | 242.02960330 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 15 |
Theophylline, 8-methylthio-6-thio-; 4791-34-8; 29H5UXZ2VK; NSC-95857; DTXSID20197340; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one; RefChem:1052617; DTXCID30119831; Theophylline, (8-methylthio)-6-thio-; Theophylline, 8-(methylthio)-6-thio-; MLS002695337; 6-Thio-(8-methylthio)theophylline; 6-Thio-8-methylthiotheophylline; NSC 95857; BRN 1125484; Uric acid, 1,3-dimethyl-8-methylthio-6-thio-
1,3,6,7-四氢-1,3-二甲基-8-(甲硫基)-6-硫代-2H-嘌呤-2-酮 · CAS 4791-34-8 · C8H10N4OS2. UNII 29H5UXZ2VK.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.