1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one (CAS 4869-71-0) — formula C13H20N4OS2, molecular weight 312.5; category organic chemicals.
| CAS Number | 4869-71-0 |
|---|---|
| Molecular Formula | C13H20N4OS2 |
| Molecular Weight | 312.5 |
| LogP | 3.4 |
| Category | Organic Chemicals |
1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one is a carbon-based organic compound with CAS registry number 4869-71-0 and molecular formula C13H20N4OS2 (molecular weight 312.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4869-71-0
Its molecular formula C13H20N4OS2 comprises 13 C, 20 H, 4 N, 1 O, 2 S atoms.
Also known as: 1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one · 1,3-二甲基-2,7-二氢-8-(己硫基)-2-硫代-1H-嘌呤-6(3H)-酮
Category: organic chemicals
The CAS registry number of 1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one is 4869-71-0.
Molecular formula C13H20N4OS2, molecular weight 312.5.
It is also registered under: 1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one, 1,3-二甲基-2,7-二氢-8-(己硫基)-2-硫代-1H-嘌呤-6(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 1,3-Dimethyl-2,7-dihydro-8-(hexylthio)-2-thioxo-1H-purin-6(3H)-one (CAS 4869-71-0), compiled from public chemistry databases.
| CAS 号 | 4869-71-0 |
|---|---|
| PubChem CID | 96981 |
| 分子式 | C13H20N4OS2 |
| IUPAC 名称 | 8-hexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | DU2CV9J9CT |
| 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-2-thio-; 4869-71-0; DU2CV9J9CT; 8-(Hexylthio)-2-thio-theophylline; NSC-95901; DTXSID00197585; RefChem:1074639; DTXCID60120076; 2-Thio-8-(N-hexylthio)theophylline; Theophylline, (8-hexylthio)-2-thio-; 2-Thio-8-n-hexylthiotheophylline; NSC 95901; BRN 1140739; Uric acid, 1,3-dimethyl-8-hexylthio-2-thio-; NSC95901; Theophylline, 8-(hexylthio)-2-thio-
1,3-二甲基-2,7-二氢-8-(己硫基)-2-硫代-1H-嘌呤-6(3H)-酮 · CAS 4869-71-0 · C13H20N4OS2. UNII DU2CV9J9CT.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.