8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one (CAS 4791-35-9) — formula C9H12N4OS2, molecular weight 256.4; category organic chemicals.
| CAS Number | 4791-35-9 |
|---|---|
| Molecular Formula | C9H12N4OS2 |
| Molecular Weight | 256.4 |
| LogP | 1.4 |
| Category | Organic Chemicals |
8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one is a carbon-based organic compound with CAS registry number 4791-35-9 and molecular formula C9H12N4OS2 (molecular weight 256.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4791-35-9
Its molecular formula C9H12N4OS2 comprises 9 C, 12 H, 4 N, 1 O, 2 S atoms.
Also known as: 8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one · 8-(乙硫基)-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2(6H)-酮
Category: organic chemicals
The CAS registry number of 8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one is 4791-35-9.
Molecular formula C9H12N4OS2, molecular weight 256.4.
It is also registered under: 8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one, 8-(乙硫基)-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2(6H)-酮.
Category: Organic Chemicals.
Independent reference data for 8-(Ethylthio)-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(6H)-one (CAS 4791-35-9), compiled from public chemistry databases.
| CAS 号 | 4791-35-9 |
|---|---|
| PubChem CID | 3034527 |
| 分子式 | C9H12N4OS2 |
| IUPAC 名称 | 8-ethylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | 69U88DN2QH |
| Molecular Weight | 256.4 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 256.04525337 |
| Monoisotopic Mass | 256.04525337 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 16 |
Theophylline, 8-ethylthio-6-thio-; Theophylline, (8-ethylthio)-6-thio-; NSC 95862; 8-ETHYLTHIO-6-THIOTHEOPHYLLINE; BRN 1126191; 69U88DN2QH; NSC-95862; DTXSID80197341; 8-(ETHYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE; RefChem:203270; DTXCID90119832; 6-Thio-8-ethylthiotheophylline; 4791-35-9; Uric acid, 1,3-dimethyl-8-ethylthio-6-thio-; 2H-Purin-2-one, 8-(ethylthio)-1,3,6,7-tetrahydro-3,7-dimethyl-6-thioxo-; NSC95862
8-(乙硫基)-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2(6H)-酮 · CAS 4791-35-9 · C9H12N4OS2. UNII 69U88DN2QH.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.