6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one (CAS 4791-38-2) — formula C13H20N4OS2, molecular weight 312.5; category organic chemicals.
| CAS Number | 4791-38-2 |
|---|---|
| Molecular Formula | C13H20N4OS2 |
| Molecular Weight | 312.5 |
| LogP | 3.4 |
| Category | Organic Chemicals |
6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one is a carbon-based organic compound with CAS registry number 4791-38-2 and molecular formula C13H20N4OS2 (molecular weight 312.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4791-38-2
Its molecular formula C13H20N4OS2 comprises 13 C, 20 H, 4 N, 1 O, 2 S atoms.
Also known as: 6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one · 6,7-二氢-1,3-二甲基-8-(己硫基)-6-硫代-1H-嘌呤-2(3H)-酮
Category: organic chemicals
The CAS registry number of 6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one is 4791-38-2.
Molecular formula C13H20N4OS2, molecular weight 312.5.
It is also registered under: 6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one, 6,7-二氢-1,3-二甲基-8-(己硫基)-6-硫代-1H-嘌呤-2(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 6,7-Dihydro-1,3-dimethyl-8-(hexylthio)-6-thioxo-1H-purin-2(3H)-one (CAS 4791-38-2), compiled from public chemistry databases.
| CAS 号 | 4791-38-2 |
|---|---|
| PubChem CID | 3034536 |
| 分子式 | C13H20N4OS2 |
| IUPAC 名称 | 8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | DQ0WBX071F |
| Molecular Weight | 312.5 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 312.10785362 |
| Monoisotopic Mass | 312.10785362 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 20 |
Theophylline, 8-hexylthio-6-thio-; 4791-38-2; DQ0WBX071F; NSC-95902; 8-HEXYLTHIO-6-THIOTHEOPHYLLINE; DTXSID60197344; 8-(Hexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one; RefChem:1074706; DTXCID70119835; 6-Thio-8-(N-hexylthio)theophylline; Theophylline, (8-hexylthio)-6-thio-; Theophylline, 8-(hexylthio)-6-thio-; 6-Thio-8-n-hexylthiotheophylline; NSC 95902; BRN 1140738; Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-
6,7-二氢-1,3-二甲基-8-(己硫基)-6-硫代-1H-嘌呤-2(3H)-酮 · CAS 4791-38-2 · C13H20N4OS2. UNII DQ0WBX071F.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.