1,3-Dimethyl-8-(hexylthio)-1H-purine-2,6(3H,7H)-dithione (CAS 6466-22-4) — formula C13H20N4S3, molecular weight 328.5; category organic chemicals.
| CAS Number | 6466-22-4 |
|---|---|
| Molecular Formula | C13H20N4S3 |
| Molecular Weight | 328.5 |
| LogP | 4 |
| Category | Organic Chemicals |
1,3-Dimethyl-8-(hexylthio)-1H-purine-2,6(3H,7H)-dithione is a carbon-based organic compound with CAS registry number 6466-22-4 and molecular formula C13H20N4S3 (molecular weight 328.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-22-4
Its molecular formula C13H20N4S3 comprises 13 C, 20 H, 4 N, 3 S atoms.
Also known as: 1,3-Dimethyl-8-(hexylthio)-1H-purine-2,6(3H,7H)-dithione · 1,3-二甲基-8-(己硫基)-1H-嘌呤-2,6(3H,7H)-二硫酮
Category: organic chemicals
The CAS registry number of 1,3-Dimethyl-8-(hexylthio)-1H-purine-2,6(3H,7H)-dithione is 6466-22-4.
Molecular formula C13H20N4S3, molecular weight 328.5.
It is also registered under: 1,3-Dimethyl-8-(hexylthio)-1H-purine-2,6(3H,7H)-dithione, 1,3-二甲基-8-(己硫基)-1H-嘌呤-2,6(3H,7H)-二硫酮.
Category: Organic Chemicals.
Independent reference data for 1,3-Dimethyl-8-(hexylthio)-1H-purine-2,6(3H,7H)-dithione (CAS 6466-22-4), compiled from public chemistry databases.
| CAS 号 | 6466-22-4 |
|---|---|
| PubChem CID | 3034544 |
| 分子式 | C13H20N4S3 |
| IUPAC 名称 | 8-hexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione |
| UNII（FDA） | WXI8VGV8GD |
| Molecular Weight | 328.5 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 328.08501018 |
| Monoisotopic Mass | 328.08501018 |
| Topological Polar Surface Area | 125 |
| Heavy Atom Count | 20 |
Theophylline, 8-(hexylthio)dithio-; Theophylline, 2,6-dithio-8-hexylthio-; WXI8VGV8GD; 2,6-Dithio-8-(N-hexylthio)theophylline; NSC 97990; 2,6-Dithio-8-n-hexylthiotheophylline; BRN 1140924; Theophylline, 2,6-dithio-(8-hexylthio)-; UNII-WXI8VGV8GD; NSC-97990; Uric acid, 1,3-dimethyl-2,6-dithio-8-hexylthio-; DTXSID30214931; 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione; 1H-PURINE-2,6-DITHIONE, 8-(HEXYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-; RefChem:199229; DTXCID60137422
1,3-二甲基-8-(己硫基)-1H-嘌呤-2,6(3H,7H)-二硫酮 · CAS 6466-22-4 · C13H20N4S3. UNII WXI8VGV8GD.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.