1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one (CAS 4791-40-6) — formula C15H24N4OS2, molecular weight 340.5; category organic chemicals.
| CAS Number | 4791-40-6 |
|---|---|
| Molecular Formula | C15H24N4OS2 |
| Molecular Weight | 340.5 |
| LogP | 4.5 |
| Category | Organic Chemicals |
1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one is a carbon-based organic compound with CAS registry number 4791-40-6 and molecular formula C15H24N4OS2 (molecular weight 340.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4791-40-6
Its molecular formula C15H24N4OS2 comprises 15 C, 24 H, 4 N, 1 O, 2 S atoms.
Also known as: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one · 1,3,6,7-四氢-1,3-二甲基-8-(辛硫基)-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-(octylthio)-6-thioxo-2H-purin-2-one is 4791-40-6.
Molecular formula C15H24N4OS2, molecular weight 340.5.
It is also registered under: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one, 1,3,6,7-四氢-1,3-二甲基-8-(辛硫基)-6-硫代-2H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one (CAS 4791-40-6), compiled from public chemistry databases.
| CAS 号 | 4791-40-6 |
|---|---|
| PubChem CID | 3034538 |
| 分子式 | C15H24N4OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-octylsulfanyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | 1KT1N7E3ND |
| Molecular Weight | 340.5 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 340.13915375 |
| Monoisotopic Mass | 340.13915375 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 22 |
Theophylline, 8-octylthio-6-thio-; 4791-40-6; 1KT1N7E3ND; NSC-95912; DTXSID80197346; 8-OCTYLTHIO-6-THIOTHEOPHYLLINE; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one; RefChem:1074766; DTXCID90119837; 6-Thio-8-(N-octylthio)theophylline; Theophylline, (8-octylthio)-6-thio-; Theophylline, 8-(octylthio)-6-thio-; 6-Thio-8-n-octylthiotheophylline; NSC 95912; BRN 1147670; Uric acid, 1,3-dimethyl-8-octylthio-6-thio-
1,3,6,7-四氢-1,3-二甲基-8-(辛硫基)-6-硫代-2H-嘌呤-2-酮 · CAS 4791-40-6 · C15H24N4OS2. UNII 1KT1N7E3ND.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.