8-(Butylthio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 74039-56-8) — formula C11H16N4O2S, molecular weight 268.34; category organic chemicals.
| CAS Number | 74039-56-8 |
|---|---|
| Molecular Formula | C11H16N4O2S |
| Molecular Weight | 268.34 |
| LogP | 1.5 |
| Category | Organic Chemicals |
8-(Butylthio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is a carbon-based organic compound with CAS registry number 74039-56-8 and molecular formula C11H16N4O2S (molecular weight 268.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 74039-56-8
Its molecular formula C11H16N4O2S comprises 11 C, 16 H, 4 N, 2 O, 1 S atoms.
Also known as: 8-(Butylthio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione · 8-(丁硫基)-3,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮
Category: organic chemicals
The CAS registry number of 8-(Butylthio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 74039-56-8.
Molecular formula C11H16N4O2S, molecular weight 268.34.
It is also registered under: 8-(Butylthio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(丁硫基)-3,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮.
Category: Organic Chemicals.
Independent reference data for 8-(Butylthio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 74039-56-8), compiled from public chemistry databases.
| CAS 号 | 74039-56-8 |
|---|---|
| PubChem CID | 96607 |
| 分子式 | C11H16N4O2S |
| IUPAC 名称 | 8-butylsulfanyl-3,7-dimethylpurine-2,6-dione |
| UNII（FDA） | KF1TKJ8VHG |
| Molecular Weight | 268.34 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 268.09939694 |
| Monoisotopic Mass | 268.09939694 |
| Topological Polar Surface Area | 92.5 |
| Heavy Atom Count | 18 |
8-(Butylthio)theobromine; Theobromine, 8-(butylthio)-; KF1TKJ8VHG; NSC 81492; UNII-KF1TKJ8VHG; NSC-81492; 1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-3,7-dimethyl-; DTXSID20224928; RefChem:106848; DTXCID50147419; 1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-3,7-dimethyl-(9CI); 74039-56-8; NSC81492; 8-(butylsulfanyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione; WLN: T56 BN DN FNVMVJ B1 CS4 F1; 1H-Purine-2, 8-(butylthio)-3,7-dihydro-3,7-dimethyl-
8-(丁硫基)-3,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮 · CAS 74039-56-8 · C11H16N4O2S. UNII KF1TKJ8VHG.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.