8-[(4-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one (CAS 6493-45-4) — formula C13H13N5OS2, molecular weight 319.4; category organic chemicals.
| CAS Number | 6493-45-4 |
|---|---|
| Molecular Formula | C13H13N5OS2 |
| Molecular Weight | 319.4 |
| LogP | 1.5 |
| Category | Organic Chemicals |
8-[(4-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one is a carbon-based organic compound with CAS registry number 6493-45-4 and molecular formula C13H13N5OS2 (molecular weight 319.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6493-45-4
Its molecular formula C13H13N5OS2 comprises 13 C, 13 H, 5 N, 1 O, 2 S atoms.
Also known as: 8-[(4-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one · 8-[(4-吡啶基甲基)硫基]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮
Category: organic chemicals
The CAS registry number of 8-[(4-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one is 6493-45-4.
Molecular formula C13H13N5OS2, molecular weight 319.4.
It is also registered under: 8-[(4-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one, 8-[(4-吡啶基甲基)硫基]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 8-[(4-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one (CAS 6493-45-4), compiled from public chemistry databases.
| CAS 号 | 6493-45-4 |
|---|---|
| PubChem CID | 3034548 |
| 分子式 | C13H13N5OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-(pyridin-4-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | PV0B8G6H7D |
| Molecular Weight | 319.4 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 319.05615240 |
| Monoisotopic Mass | 319.05615240 |
| Topological Polar Surface Area | 123 |
| Heavy Atom Count | 21 |
Theophylline, 8-(4-pyridylmethyl)thio-6-thio-; 6493-45-4; PV0B8G6H7D; NSC 98000; BRN 1156560; 6-Thio-8-(4'-pyridylmethyl)thiotheophylline; NSC-98000; UNII-PV0B8G6H7D; Uric acid, 1,3-dimethyl-8-(4-pyridylmethyl)thio-6-thio-; DTXSID50215243; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-((4-pyridinylmethyl)thio)-6-thioxo-2H-purin-2-one; Theophylline, 8-[(4-pyridylmethyl)thio]-6-thio-; THEOPHYLLINE, 8-((4-PYRIDYLMETHYL)THIO)-6-THIO-; 2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((4-PYRIDINYLMETHYL)THIO)-6-THIOXO-; RefChem:196749; DTXCID50137734
8-[(4-吡啶基甲基)硫基]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮 · CAS 6493-45-4 · C13H13N5OS2. UNII PV0B8G6H7D.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.