3,7-Dihydro-8-isopentylthio-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 73747-35-0) — formula C13H20N4O2S, molecular weight 296.39; category organic chemicals.
| CAS Number | 73747-35-0 |
|---|---|
| Molecular Formula | C13H20N4O2S |
| Molecular Weight | 296.39 |
| LogP | 2.1 |
| Category | Organic Chemicals |
3,7-Dihydro-8-isopentylthio-1,3,7-trimethyl-1H-purine-2,6-dione is a carbon-based organic compound with CAS registry number 73747-35-0 and molecular formula C13H20N4O2S (molecular weight 296.39), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 73747-35-0
Its molecular formula C13H20N4O2S comprises 13 C, 20 H, 4 N, 2 O, 1 S atoms.
Also known as: 3,7-Dihydro-8-isopentylthio-1,3,7-trimethyl-1H-purine-2,6-dione · 3,7-二氢-8-异戊硫基-1,3,7-三甲基-1H-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 3,7-Dihydro-8-isopentylthio-1,3,7-trimethyl-1H-purine-2,6-dione is 73747-35-0.
Molecular formula C13H20N4O2S, molecular weight 296.39.
It is also registered under: 3,7-Dihydro-8-isopentylthio-1,3,7-trimethyl-1H-purine-2,6-dione, 3,7-二氢-8-异戊硫基-1,3,7-三甲基-1H-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 3,7-Dihydro-8-isopentylthio-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 73747-35-0), compiled from public chemistry databases.
| CAS 号 | 73747-35-0 |
|---|---|
| PubChem CID | 52356 |
| 分子式 | C13H20N4O2S |
| IUPAC 名称 | 1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione |
| UNII（FDA） | PY5HW9Q5MV |
| Molecular Weight | 296.39 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 296.13069707 |
| Monoisotopic Mass | 296.13069707 |
| Topological Polar Surface Area | 83.7 |
| Heavy Atom Count | 20 |
CAFFEINE, 8-(ISOPENTYLTHIO)-; 73747-35-0; PY5HW9Q5MV; NSC-81486; DTXSID10224073; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-; 3,7-Dihydro-1,3,7-trimethyl-8-((3-methylbutyl)thio)-1H-purine-2,6-dione; RefChem:1066133; DTXCID10146564; 8-(Isopentylthio)caffeine; CHEMBL1927672; NSC 81486; NSC81486; UNII-PY5HW9Q5MV; BDBM50359577; WLN: T56 BN DN FNVNVJ B1 CS2Y1&1 F1 H1
3,7-二氢-8-异戊硫基-1,3,7-三甲基-1H-嘌呤-2,6-二酮 · CAS 73747-35-0 · C13H20N4O2S. UNII PY5HW9Q5MV.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.