3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione (CAS 74039-58-0) — formula C10H14N4O2S, molecular weight 254.31; category organic chemicals.
| CAS Number | 74039-58-0 |
|---|---|
| Molecular Formula | C10H14N4O2S |
| Molecular Weight | 254.31 |
| LogP | 1.1 |
| Category | Organic Chemicals |
3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione is a carbon-based organic compound with CAS registry number 74039-58-0 and molecular formula C10H14N4O2S (molecular weight 254.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 74039-58-0
Its molecular formula C10H14N4O2S comprises 10 C, 14 H, 4 N, 2 O, 1 S atoms.
Also known as: 3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione · 3,7-二甲基-8-(丙硫基)-1H-嘌呤-2,6(3H,7H)-二酮
Category: organic chemicals
The CAS registry number of 3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione is 74039-58-0.
Molecular formula C10H14N4O2S, molecular weight 254.31.
It is also registered under: 3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione, 3,7-二甲基-8-(丙硫基)-1H-嘌呤-2,6(3H,7H)-二酮.
Category: Organic Chemicals.
Independent reference data for 3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione (CAS 74039-58-0), compiled from public chemistry databases.
| CAS 号 | 74039-58-0 |
|---|---|
| PubChem CID | 96606 |
| 分子式 | C10H14N4O2S |
| IUPAC 名称 | 3,7-dimethyl-8-propylsulfanylpurine-2,6-dione |
| UNII（FDA） | SN3J1WFN66 |
| Molecular Weight | 254.31 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.08374688 |
| Monoisotopic Mass | 254.08374688 |
| Topological Polar Surface Area | 92.5 |
| Heavy Atom Count | 17 |
8-(Propylthio)theobromine; Theobromine, 8-(propylthio)-; SN3J1WFN66; NSC 81491; NSC-81491; UNII-SN3J1WFN66; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)-; DTXSID90224930; RefChem:106867; DTXCID20147421; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)-(9CI); 74039-58-0; 3,7-Dimethyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione; NSC81491; 3,7-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione; Oprea1_273498
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
3,7-二甲基-8-(丙硫基)-1H-嘌呤-2,6(3H,7H)-二酮 · CAS 74039-58-0 · C10H14N4O2S. UNII SN3J1WFN66.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.