3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one (CAS 5446-42-4) — formula C12H10N4OS, molecular weight 258.30; category organic chemicals.
| CAS Number | 5446-42-4 |
|---|---|
| Molecular Formula | C12H10N4OS |
| Molecular Weight | 258.30 |
| LogP | 2.1 |
| Category | Organic Chemicals |
3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one is a carbon-based organic compound with CAS registry number 5446-42-4 and molecular formula C12H10N4OS (molecular weight 258.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5446-42-4
Its molecular formula C12H10N4OS comprises 12 C, 10 H, 4 N, 1 O, 1 S atoms.
Also known as: 3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one · 3,7-二氢-6-[(苯甲基)硫基]-2H-嘌呤-2-酮
Category: organic chemicals
The CAS registry number of 3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one is 5446-42-4.
Molecular formula C12H10N4OS, molecular weight 258.30.
It is also registered under: 3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one, 3,7-二氢-6-[(苯甲基)硫基]-2H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one (CAS 5446-42-4), compiled from public chemistry databases.
| CAS 号 | 5446-42-4 |
|---|---|
| PubChem CID | 95092 |
| 分子式 | C12H10N4OS |
| IUPAC 名称 | 6-benzylsulfanyl-3,7-dihydropurin-2-one |
| UNII（FDA） | 2UX24NXQ6F |
| Molecular Weight | 258.30 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 258.05753213 |
| Monoisotopic Mass | 258.05753213 |
| Topological Polar Surface Area | 95.4 |
| Heavy Atom Count | 18 |
Purin-2-ol, 6-(benzylthio)-; 6-(Benzylthio)purin-2-ol; NSC 17268; 2UX24NXQ6F; 6-(Benzylthio)-purin-2-ol; NSC-17268; UNII-2UX24NXQ6F; DTXSID40202864; 3H-Purin-3-one, 1,7-dihydro-6-((phenylmethyl)thio)-; 1,3-DIHYDRO-6-((PHENYLMETHYL)THIO)-2H-PURIN-2-ONE; 2H-PURIN-2-ONE, 1,3-DIHYDRO-6-((PHENYLMETHYL)THIO)-; 2H-PURIN-2-ONE, 3,7-DIHYDRO-6-((PHENYLMETHYL)THIO)-; RefChem:199056; DTXCID70125355; 3H-Purin-3-one, 1,7-dihydro-6-((phenylmethyl)thio)-(9CI); 5446-42-4
3,7-二氢-6-[(苯甲基)硫基]-2H-嘌呤-2-酮 · CAS 5446-42-4 · C12H10N4OS. UNII 2UX24NXQ6F.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.