8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one (CAS 6466-13-3) — formula C13H18N4OS2, molecular weight 310.4; category organic chemicals.
| CAS Number | 6466-13-3 |
|---|---|
| Molecular Formula | C13H18N4OS2 |
| Molecular Weight | 310.4 |
| LogP | 2.9 |
| Category | Organic Chemicals |
8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one is a carbon-based organic compound with CAS registry number 6466-13-3 and molecular formula C13H18N4OS2 (molecular weight 310.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-13-3
Its molecular formula C13H18N4OS2 comprises 13 C, 18 H, 4 N, 1 O, 2 S atoms.
Also known as: 8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one · 8-(环己硫基)-1,3-二甲基-2-硫代-2,3-二氢-7H-嘌呤-6(1H)-酮
Category: organic chemicals
The CAS registry number of 8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one is 6466-13-3.
Molecular formula C13H18N4OS2, molecular weight 310.4.
It is also registered under: 8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one, 8-(环己硫基)-1,3-二甲基-2-硫代-2,3-二氢-7H-嘌呤-6(1H)-酮.
Category: Organic Chemicals.
Independent reference data for 8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-7H-purin-6(1H)-one (CAS 6466-13-3), compiled from public chemistry databases.
| CAS 号 | 6466-13-3 |
|---|---|
| PubChem CID | 96980 |
| 分子式 | C13H18N4OS2 |
| IUPAC 名称 | 8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | I71NWA18JB |
| Molecular Weight | 310.4 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 310.09220356 |
| Monoisotopic Mass | 310.09220356 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 20 |
Theophylline, 8-cyclohexylthio-2-thio-; 6466-13-3; I71NWA18JB; NSC-95899; DTXSID40214927; 8-(Cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one; RefChem:1074628; DTXCID70137418; 2-Thio-8-cyclohexylthiotheophylline; Theophylline, 8-(cyclohexylthio)-2-thio-; 8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one; NSC 95899; BRN 1144724; NSC95899; Uric acid, 8-cyclohexylthio-1,3-dimethyl-2-thio-; UNII-I71NWA18JB
8-(环己硫基)-1,3-二甲基-2-硫代-2,3-二氢-7H-嘌呤-6(1H)-酮 · CAS 6466-13-3 · C13H18N4OS2. UNII I71NWA18JB.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.