1,3,6,7-Tetrahydro-1,3-dimethyl-8-[(tetrahydrofuran-2-ylmethyl)thio]-6-thioxo-2H-purin-2-one (CAS 6493-47-6) — formula C12H16N4O2S2, molecular weight 312.4; category organic chemicals.
| CAS Number | 6493-47-6 |
|---|---|
| Molecular Formula | C12H16N4O2S2 |
| Molecular Weight | 312.4 |
| LogP | 1.5 |
| Category | Organic Chemicals |
1,3,6,7-Tetrahydro-1,3-dimethyl-8-[(tetrahydrofuran-2-ylmethyl)thio]-6-thioxo-2H-purin-2-one is a carbon-based organic compound with CAS registry number 6493-47-6 and molecular formula C12H16N4O2S2 (molecular weight 312.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6493-47-6
Its molecular formula C12H16N4O2S2 comprises 12 C, 16 H, 4 N, 2 O, 2 S atoms.
Also known as: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-[(tetrahydrofuran-2-ylmethyl)thio]-6-thioxo-2H-purin-2-one · 1,3,6,7-四氢-1,3-二甲基-8-[(四氢呋喃-2-基甲基)硫基]-6-硫代-2H-嘌呤-2-酮
Category: organic chemicals
The CAS registry number of 1,3,6,7-Tetrahydro-1,3-dimethyl-8-[(tetrahydrofuran-2-ylmethyl)thio]-6-thioxo-2H-purin-2-one is 6493-47-6.
Molecular formula C12H16N4O2S2, molecular weight 312.4.
It is also registered under: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-[(tetrahydrofuran-2-ylmethyl)thio]-6-thioxo-2H-purin-2-one, 1,3,6,7-四氢-1,3-二甲基-8-[(四氢呋喃-2-基甲基)硫基]-6-硫代-2H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 1,3,6,7-Tetrahydro-1,3-dimethyl-8-[(tetrahydrofuran-2-ylmethyl)thio]-6-thioxo-2H-purin-2-one (CAS 6493-47-6), compiled from public chemistry databases.
| CAS 号 | 6493-47-6 |
|---|---|
| PubChem CID | 3034550 |
| 分子式 | C12H16N4O2S2 |
| IUPAC 名称 | 1,3-dimethyl-8-(oxolan-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one |
| Molecular Weight | 312.4 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.07146811 |
| Monoisotopic Mass | 312.07146811 |
| Topological Polar Surface Area | 119 |
| Heavy Atom Count | 20 |
Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-; RefChem:1099798; 6493-47-6; 6-Thio-8-(2'-tetrahydrofurfuryl)thiotheophylline; MLS002703425; NSC 98002; BRN 1150036; NSC98002; Uric acid, 1,3-dimethyl-6-thio-8-(tetrahydrofurfuryl)thio-; Theophylline, 8-[(tetrahydrofurfuryl)thio]-6-thio-; CHEMBL1730245; NSC-98002; SMR001570144; Uric acid,3-dimethyl-6-thio-8-(tetrahydrofurfuryl)thio-
1,3,6,7-四氢-1,3-二甲基-8-[(四氢呋喃-2-基甲基)硫基]-6-硫代-2H-嘌呤-2-酮 · CAS 6493-47-6 · C12H16N4O2S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.