8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one (CAS 6466-14-4) — formula C13H13N5OS2, molecular weight 319.4; category organic chemicals.
| CAS Number | 6466-14-4 |
|---|---|
| Molecular Formula | C13H13N5OS2 |
| Molecular Weight | 319.4 |
| LogP | 1.5 |
| Category | Organic Chemicals |
8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one is a carbon-based organic compound with CAS registry number 6466-14-4 and molecular formula C13H13N5OS2 (molecular weight 319.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-14-4
Its molecular formula C13H13N5OS2 comprises 13 C, 13 H, 5 N, 1 O, 2 S atoms.
Also known as: 8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one · 8-[(2-吡啶基甲基)硫基]-1,3-二甲基-3,7-二氢-2-硫代-1H-嘌呤-6-酮
Category: organic chemicals
The CAS registry number of 8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one is 6466-14-4.
Molecular formula C13H13N5OS2, molecular weight 319.4.
It is also registered under: 8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one, 8-[(2-吡啶基甲基)硫基]-1,3-二甲基-3,7-二氢-2-硫代-1H-嘌呤-6-酮.
Category: Organic Chemicals.
Independent reference data for 8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one (CAS 6466-14-4), compiled from public chemistry databases.
| CAS 号 | 6466-14-4 |
|---|---|
| PubChem CID | 97098 |
| 分子式 | C13H13N5OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | BA0N835VZI |
| 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 |
6466-14-4; Theophylline, 8-((2-pyridylmethyl)thio)-2-thio-; BA0N835VZI; NSC 99663; NSC-99663; BRN 1156851; 8-((2-Pyridylmethyl)thio)-2-thiotheophylline; UNII-BA0N835VZI; 8-[(2-Pyridylmethyl)thio]-2-thiotheophylline; DTXSID00214928; 1,2,3,9-Tetrahydro-1,3-dimethyl-8-((2-pyridinylmethyl)thio)-2-thioxo-6H-purin-6-one; Theophylline, 8-[(2-pyridylmethyl)thio]-2-thio-; 6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-PYRIDINYLMETHYL)THIO)-2-THIOXO-; RefChem:196675; DTXCID30137419; NSC99663
8-[(2-吡啶基甲基)硫基]-1,3-二甲基-3,7-二氢-2-硫代-1H-嘌呤-6-酮 · CAS 6466-14-4 · C13H13N5OS2. UNII BA0N835VZI.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.