6,7,8,9-Tetrahydro-1,3-dimethyl-6,8-dithioxo-1H-purin-2(3H)-one (CAS 2006-51-1) — formula C7H8N4OS2, molecular weight 228.3; category organic chemicals.
| CAS Number | 2006-51-1 |
|---|---|
| Molecular Formula | C7H8N4OS2 |
| Molecular Weight | 228.3 |
| LogP | 0.7 |
| Category | Organic Chemicals |
6,7,8,9-Tetrahydro-1,3-dimethyl-6,8-dithioxo-1H-purin-2(3H)-one is a carbon-based organic compound with CAS registry number 2006-51-1 and molecular formula C7H8N4OS2 (molecular weight 228.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2006-51-1
Its molecular formula C7H8N4OS2 comprises 7 C, 8 H, 4 N, 1 O, 2 S atoms.
Also known as: 6,7,8,9-Tetrahydro-1,3-dimethyl-6,8-dithioxo-1H-purin-2(3H)-one · 6,7,8,9-四氢-1,3-二甲基-6,8-二硫代-1H-嘌呤-2(3H)-酮
Category: organic chemicals
The CAS registry number of 6,7,8,9-Tetrahydro-1,3-dimethyl-6,8-dithioxo-1H-purin-2(3H)-one is 2006-51-1.
Molecular formula C7H8N4OS2, molecular weight 228.3.
It is also registered under: 6,7,8,9-Tetrahydro-1,3-dimethyl-6,8-dithioxo-1H-purin-2(3H)-one, 6,7,8,9-四氢-1,3-二甲基-6,8-二硫代-1H-嘌呤-2(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 6,7,8,9-Tetrahydro-1,3-dimethyl-6,8-dithioxo-1H-purin-2(3H)-one (CAS 2006-51-1), compiled from public chemistry databases.
| CAS 号 | 2006-51-1 |
|---|---|
| PubChem CID | 3034523 |
| 分子式 | C7H8N4OS2 |
| IUPAC 名称 | 1,3-dimethyl-6,8-bis(sulfanylidene)-7,9-dihydropurin-2-one |
| UNII（FDA） | CA20YEF6XI |
| Molecular Weight | 228.3 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 228.01395324 |
| Monoisotopic Mass | 228.01395324 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 14 |
Theophylline, 8-mercapto-6-thio-; 2006-51-1; CA20YEF6XI; 8-Mercapto-6-thio-theophylline; NSC-95853; DTXSID30173872; RefChem:1074724; DTXCID9096363; 6-Thio-8-mercaptotheophylline; NSC 95853; NSC95853; UNII-CA20YEF6XI; Uric acid, 1,3-dimethyl-6,8-dithio- (VAN); Uric acid,3-dimethyl-6,8-dithio-; Uric acid, 1,3-dimethyl-6,8-dithio-; 1,3,6,7,8,9-HEXAHYDRO-1,3-DIMETHYL-6,8-DITHIOXO-2H-PURIN-2-ONE
6,7,8,9-四氢-1,3-二甲基-6,8-二硫代-1H-嘌呤-2(3H)-酮 · CAS 2006-51-1 · C7H8N4OS2. UNII CA20YEF6XI.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.