3,7-Dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione (CAS 74039-57-9) — formula C15H24N4O2S, molecular weight 324.4; category organic chemicals.
| CAS Number | 74039-57-9 |
|---|---|
| Molecular Formula | C15H24N4O2S |
| Molecular Weight | 324.4 |
| LogP | 3.6 |
| Category | Organic Chemicals |
3,7-Dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione is a carbon-based organic compound with CAS registry number 74039-57-9 and molecular formula C15H24N4O2S (molecular weight 324.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 74039-57-9
Its molecular formula C15H24N4O2S comprises 15 C, 24 H, 4 N, 2 O, 1 S atoms.
Also known as: 3,7-Dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione · 3,7-二甲基-8-(辛硫基)-1H-嘌呤-2,6(3H,7H)-二酮
Category: organic chemicals
The CAS registry number of 3,7-Dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione is 74039-57-9.
Molecular formula C15H24N4O2S, molecular weight 324.4.
It is also registered under: 3,7-Dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione, 3,7-二甲基-8-(辛硫基)-1H-嘌呤-2,6(3H,7H)-二酮.
Category: Organic Chemicals.
Independent reference data for 3,7-Dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione (CAS 74039-57-9), compiled from public chemistry databases.
| CAS 号 | 74039-57-9 |
|---|---|
| PubChem CID | 96608 |
| 分子式 | C15H24N4O2S |
| IUPAC 名称 | 3,7-dimethyl-8-octylsulfanylpurine-2,6-dione |
| UNII（FDA） | NJ13HSK519 |
| Molecular Weight | 324.4 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 324.16199719 |
| Monoisotopic Mass | 324.16199719 |
| Topological Polar Surface Area | 92.5 |
| Heavy Atom Count | 22 |
8-(Octylthio)theobromine; Theobromine, 8-(octylthio)-; 3,7-dimethyl-8-octylsulfanylpurine-2,6-dione; NSC 81498; NJ13HSK519; NSC-81498; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(octylthio)-; UNII-NJ13HSK519; DTXSID80224929; RefChem:106866; DTXCID60147420; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(octylthio)-(9CI); 74039-57-9; NSC81498; 3,7-dimethyl-8-(octylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione; WLN: T56 BN DN FNVMVJ B1 CS8 F1
3,7-二甲基-8-(辛硫基)-1H-嘌呤-2,6(3H,7H)-二酮 · CAS 74039-57-9 · C15H24N4O2S. UNII NJ13HSK519.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.