1,3,6,7-Tetrahydro-8-(isobutylthio)-1,3-dimethyl-6-thioxo-2H-purin-2-one (CAS 6493-41-0) — formula C11H16N4OS2, molecular weight 284.4; category organic chemicals.
| CAS Number | 6493-41-0 |
|---|---|
| Molecular Formula | C11H16N4OS2 |
| Molecular Weight | 284.4 |
| LogP | 2.4 |
| Category | Organic Chemicals |
1,3,6,7-Tetrahydro-8-(isobutylthio)-1,3-dimethyl-6-thioxo-2H-purin-2-one is a carbon-based organic compound with CAS registry number 6493-41-0 and molecular formula C11H16N4OS2 (molecular weight 284.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6493-41-0
Its molecular formula C11H16N4OS2 comprises 11 C, 16 H, 4 N, 1 O, 2 S atoms.
Also known as: 1,3,6,7-Tetrahydro-8-(isobutylthio)-1,3-dimethyl-6-thioxo-2H-purin-2-one · 1,3,6,7-四氢-8-(异丁硫基)-1,3-二甲基-6-硫代-2H-嘌呤-2-酮
Category: organic chemicals
The CAS registry number of 1,3,6,7-Tetrahydro-8-(isobutylthio)-1,3-dimethyl-6-thioxo-2H-purin-2-one is 6493-41-0.
Molecular formula C11H16N4OS2, molecular weight 284.4.
It is also registered under: 1,3,6,7-Tetrahydro-8-(isobutylthio)-1,3-dimethyl-6-thioxo-2H-purin-2-one, 1,3,6,7-四氢-8-(异丁硫基)-1,3-二甲基-6-硫代-2H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 1,3,6,7-Tetrahydro-8-(isobutylthio)-1,3-dimethyl-6-thioxo-2H-purin-2-one (CAS 6493-41-0), compiled from public chemistry databases.
| CAS 号 | 6493-41-0 |
|---|---|
| PubChem CID | 3034532 |
| 分子式 | C11H16N4OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-(2-methylpropylsulfanyl)-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | XCH3XZ312V |
| Molecular Weight | 284.4 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.07655349 |
| Monoisotopic Mass | 284.07655349 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 18 |
Theophylline, 8-isobutylthio-6-thio-; 6493-41-0; 6-Thio-8-isobutylthiotheophylline; XCH3XZ312V; NSC 95885; BRN 1133165; Theophylline, 8-(isobutylthio)-6-thio-; NSC-95885; UNII-XCH3XZ312V; Uric acid, 1,3-dimethyl-8-isobutylthio-6-thio-; DTXSID60215239; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-methylpropyl)thio)-6-thioxo-2H-purin-2-one; 2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-METHYLPROPYL)THIO)-6-THIOXO-; RefChem:196746; DTXCID10137730; NSC95885
1,3,6,7-四氢-8-(异丁硫基)-1,3-二甲基-6-硫代-2H-嘌呤-2-酮 · CAS 6493-41-0 · C11H16N4OS2. UNII XCH3XZ312V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.