2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one (CAS 4869-70-9) — formula C12H18N4OS2, molecular weight 298.4; category organic chemicals.
| CAS Number | 4869-70-9 |
|---|---|
| Molecular Formula | C12H18N4OS2 |
| Molecular Weight | 298.4 |
| LogP | 2.9 |
| Category | Organic Chemicals |
2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one is a carbon-based organic compound with CAS registry number 4869-70-9 and molecular formula C12H18N4OS2 (molecular weight 298.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4869-70-9
Its molecular formula C12H18N4OS2 comprises 12 C, 18 H, 4 N, 1 O, 2 S atoms.
Also known as: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one · 2,7-二氢-1,3-二甲基-8-(戊硫基)-2-硫代-1H-嘌呤-6(3H)-酮
Category: organic chemicals
The CAS registry number of 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one is 4869-70-9.
Molecular formula C12H18N4OS2, molecular weight 298.4.
It is also registered under: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one, 2,7-二氢-1,3-二甲基-8-(戊硫基)-2-硫代-1H-嘌呤-6(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one (CAS 4869-70-9), compiled from public chemistry databases.
| CAS 号 | 4869-70-9 |
|---|---|
| PubChem CID | 96978 |
| 分子式 | C12H18N4OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-pentylsulfanyl-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | 16PCK5PX5O |
| Molecular Weight | 298.4 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 298.09220356 |
| Monoisotopic Mass | 298.09220356 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 19 |
Theophylline, 8-pentylthio-2-thio-; 4869-70-9; Theophylline, (8-pentylthio)-2-thio-; 2-Thio-8-n-pentylthiotheophylline; 16PCK5PX5O; NSC 95892; Theophylline, 8-(pentylthio)-2-thio-; BRN 1139272; NSC-95892; Uric acid, 1,3-dimethyl-8-pentylthio-2-thio-; UNII-16PCK5PX5O; DTXSID40197584; 1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one; 6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PENTYLTHIO)-2-THIOXO-; RefChem:71379; DTXCID00120075
2,7-二氢-1,3-二甲基-8-(戊硫基)-2-硫代-1H-嘌呤-6(3H)-酮 · CAS 4869-70-9 · C12H18N4OS2. UNII 16PCK5PX5O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.