1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one (CAS 6305-94-8) — formula C5H4N4OS, molecular weight 168.18; category organic chemicals.
| CAS Number | 6305-94-8 |
|---|---|
| Molecular Formula | C5H4N4OS |
| Molecular Weight | 168.18 |
| LogP | -1.1 |
| Category | Organic Chemicals |
1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one is a carbon-based organic compound with CAS registry number 6305-94-8 and molecular formula C5H4N4OS (molecular weight 168.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6305-94-8
Its molecular formula C5H4N4OS comprises 5 C, 4 H, 4 N, 1 O, 1 S atoms.
Also known as: 1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one · 1,7,8,9-四氢-8-硫代-6H-嘌呤-6-酮
Category: organic chemicals
The CAS registry number of 1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one is 6305-94-8.
Molecular formula C5H4N4OS, molecular weight 168.18.
It is also registered under: 1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one, 1,7,8,9-四氢-8-硫代-6H-嘌呤-6-酮.
Category: Organic Chemicals.
Independent reference data for 1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one (CAS 6305-94-8), compiled from public chemistry databases.
| CAS 号 | 6305-94-8 |
|---|---|
| PubChem CID | 135410665 |
| 分子式 | C5H4N4OS |
| IUPAC 名称 | 8-sulfanylidene-7,9-dihydro-1H-purin-6-one |
| UNII（FDA） | NS00035273 |
| Molecular Weight | 168.18 |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.01058194 |
| Monoisotopic Mass | 168.01058194 |
| Topological Polar Surface Area | 97.6 |
| Heavy Atom Count | 11 |
6305-94-8; 6-Hydroxy-8-mercaptopurine; 8-Mercaptohypoxanthine; 1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one; Hypoxanthine, 8-mercapto-; SQ 21978; 6H-Purin-6-one, 1,7,8,9-tetrahydro-8-thioxo-; NSC 22713; EINECS 228-617-2; AI3-52143; DTXSID20212380; RefChem:888879; DTXCID20134871; Hypoxanthine, 8-mercapto-(8CI); 6H-Purin-6-one, 1,7,8,9-tetrahydro-8-thioxo-(9CI); 228-617-2
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
1,7,8,9-四氢-8-硫代-6H-嘌呤-6-酮 · CAS 6305-94-8 · C5H4N4OS. UNII NS00035273.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.