1,3,6,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one (CAS 4791-41-7) — formula C16H26N4OS2, molecular weight 354.5; category organic chemicals.
| CAS Number | 4791-41-7 |
|---|---|
| Molecular Formula | C16H26N4OS2 |
| Molecular Weight | 354.5 |
| LogP | 5 |
| Category | Organic Chemicals |
1,3,6,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one is a carbon-based organic compound with CAS registry number 4791-41-7 and molecular formula C16H26N4OS2 (molecular weight 354.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4791-41-7
Its molecular formula C16H26N4OS2 comprises 16 C, 26 H, 4 N, 1 O, 2 S atoms.
Also known as: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one · 1,3,6,7-四氢-1,3-二甲基-8-(壬硫基)-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-(nonylthio)-6-thioxo-2H-purin-2-one is 4791-41-7.
Molecular formula C16H26N4OS2, molecular weight 354.5.
It is also registered under: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one, 1,3,6,7-四氢-1,3-二甲基-8-(壬硫基)-6-硫代-2H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one (CAS 4791-41-7), compiled from public chemistry databases.
| CAS 号 | 4791-41-7 |
|---|---|
| PubChem CID | 3034539 |
| 分子式 | C16H26N4OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-nonylsulfanyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | 249C9W9PWQ |
| Molecular Weight | 354.5 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 354.15480381 |
| Monoisotopic Mass | 354.15480381 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 23 |
Theophylline, 8-nonylthio-6-thio-; 4791-41-7; 249C9W9PWQ; NSC-95919; DTXSID40197347; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one; RefChem:1052618; DTXCID50119838; 6-Thio-8-(N-nonylthio)theophylline; Theophylline, (8-nonylthio)-6-thio-; Theophylline, 8-(nonylthio)-6-thio-; 6-Thio-8-n-nonylthiotheophylline; NSC 95919; BRN 1151759; Uric acid, 1,3-dimethyl-8-nonylthio-6-thio-; NSC95919
1,3,6,7-四氢-1,3-二甲基-8-(壬硫基)-6-硫代-2H-嘌呤-2-酮 · CAS 4791-41-7 · C16H26N4OS2. UNII 249C9W9PWQ.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.