1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione (CAS 6466-23-5) — formula C14H22N4S3, molecular weight 342.6; category organic chemicals.
| CAS Number | 6466-23-5 |
|---|---|
| Molecular Formula | C14H22N4S3 |
| Molecular Weight | 342.6 |
| LogP | 4.5 |
| Category | Organic Chemicals |
1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione is a carbon-based organic compound with CAS registry number 6466-23-5 and molecular formula C14H22N4S3 (molecular weight 342.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-23-5
Its molecular formula C14H22N4S3 comprises 14 C, 22 H, 4 N, 3 S atoms.
Also known as: 1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione · 1,3-二甲基-8-(庚硫基)-1H-嘌呤-2,6(3H,7H)-二硫酮
Category: organic chemicals
The CAS registry number of 1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione is 6466-23-5.
Molecular formula C14H22N4S3, molecular weight 342.6.
It is also registered under: 1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione, 1,3-二甲基-8-(庚硫基)-1H-嘌呤-2,6(3H,7H)-二硫酮.
Category: Organic Chemicals.
Independent reference data for 1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione (CAS 6466-23-5), compiled from public chemistry databases.
| CAS 号 | 6466-23-5 |
|---|---|
| PubChem CID | 3034545 |
| 分子式 | C14H22N4S3 |
| IUPAC 名称 | 8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione |
| UNII（FDA） | KO7VVI6HY8 |
| Molecular Weight | 342.6 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 342.10066024 |
| Monoisotopic Mass | 342.10066024 |
| Topological Polar Surface Area | 125 |
| Heavy Atom Count | 21 |
Theophylline, 8-(heptylthio)dithio-; 2,6-Dithio-8-n-heptylthiotheophylline; Theophylline, 2,6-dithio-8-heptylthio-; 2,6-Dithio-8-(N-heptylthio)theophylline; KO7VVI6HY8; NSC 97991; BRN 1145301; 2,6-Dithio-8-heptylthiotheophylline; UNII-KO7VVI6HY8; NSC-97991; Uric acid, 1,3-dimethyl-2,6-dithio-8-heptylthio-; DTXSID90214932; 1H-PURINE-2,6-DITHIONE, 8-(HEPTYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-; RefChem:197466; DTXCID20137423; Theophylline, 8-(heptylthio)dithio-(8CI)
1,3-二甲基-8-(庚硫基)-1H-嘌呤-2,6(3H,7H)-二硫酮 · CAS 6466-23-5 · C14H22N4S3. UNII KO7VVI6HY8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.