6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one (CAS 4791-39-3) — formula C14H22N4OS2, molecular weight 326.5; category organic chemicals.
| CAS Number | 4791-39-3 |
|---|---|
| Molecular Formula | C14H22N4OS2 |
| Molecular Weight | 326.5 |
| LogP | 3.9 |
| Category | Organic Chemicals |
6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one is a carbon-based organic compound with CAS registry number 4791-39-3 and molecular formula C14H22N4OS2 (molecular weight 326.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4791-39-3
Its molecular formula C14H22N4OS2 comprises 14 C, 22 H, 4 N, 1 O, 2 S atoms.
Also known as: 6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one · 6,7-二氢-1,3-二甲基-8-(庚硫基)-6-硫代-1H-嘌呤-2(3H)-酮
Category: organic chemicals
The CAS registry number of 6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one is 4791-39-3.
Molecular formula C14H22N4OS2, molecular weight 326.5.
It is also registered under: 6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one, 6,7-二氢-1,3-二甲基-8-(庚硫基)-6-硫代-1H-嘌呤-2(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 6,7-Dihydro-1,3-dimethyl-8-(heptylthio)-6-thioxo-1H-purin-2(3H)-one (CAS 4791-39-3), compiled from public chemistry databases.
| CAS 号 | 4791-39-3 |
|---|---|
| PubChem CID | 3034537 |
| 分子式 | C14H22N4OS2 |
| IUPAC 名称 | 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | SHD1D37B0L |
| Molecular Weight | 326.5 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 326.12350369 |
| Monoisotopic Mass | 326.12350369 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 21 |
Theophylline, 8-heptylthio-6-thio-; 8-Heptylthio-6-thiotheophylline; SHD1D37B0L; 4791-39-3; NSC-95907; DTXSID20197345; RefChem:1074704; DTXCID30119836; 6-Thio-8-(N-heptylthio)theophylline; Theophylline, (8-heptylthio)-6-thio-; 6-Thio-8-n-heptylthiotheophylline; NSC 95907; BRN 1145300; Uric acid, 1,3-dimethyl-8-heptylthio-6-thio-; UNII-SHD1D37B0L; Theophylline, 8-(heptylthio)-6-thio-
6,7-二氢-1,3-二甲基-8-(庚硫基)-6-硫代-1H-嘌呤-2(3H)-酮 · CAS 4791-39-3 · C14H22N4OS2. UNII SHD1D37B0L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.