8-(Cyclohexylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one (CAS 6493-42-1) — formula C13H18N4OS2, molecular weight 310.4; category organic chemicals.
| CAS Number | 6493-42-1 |
|---|---|
| Molecular Formula | C13H18N4OS2 |
| Molecular Weight | 310.4 |
| LogP | 2.9 |
| Category | Organic Chemicals |
8-(Cyclohexylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one is a carbon-based organic compound with CAS registry number 6493-42-1 and molecular formula C13H18N4OS2 (molecular weight 310.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6493-42-1
Its molecular formula C13H18N4OS2 comprises 13 C, 18 H, 4 N, 1 O, 2 S atoms.
Also known as: 8-(Cyclohexylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one · 8-(环己硫基)-1,3-二甲基-6-硫代-1,6-二氢-7H-嘌呤-2(3H)-酮
Category: organic chemicals
The CAS registry number of 8-(Cyclohexylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one is 6493-42-1.
Molecular formula C13H18N4OS2, molecular weight 310.4.
It is also registered under: 8-(Cyclohexylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one, 8-(环己硫基)-1,3-二甲基-6-硫代-1,6-二氢-7H-嘌呤-2(3H)-酮.
Category: Organic Chemicals.
Independent reference data for 8-(Cyclohexylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one (CAS 6493-42-1), compiled from public chemistry databases.
| CAS 号 | 6493-42-1 |
|---|---|
| PubChem CID | 3034535 |
| 分子式 | C13H18N4OS2 |
| IUPAC 名称 | 8-cyclohexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | SYJ83Z0DLH |
| 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-6-thio-; 6493-42-1; SYJ83Z0DLH; 6-Thio-8-cyclohexylthiotheophylline; NSC 95898; BRN 1144725; Theophylline, 8-(cyclohexylthio)-6-thio-; UNII-SYJ83Z0DLH; NSC-95898; Uric acid, 8-cyclohexylthio-1,3-dimethyl-6-thio-; DTXSID70215240; 8-(Cyclohexylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one; 2H-PURIN-2-ONE, 8-(CYCLOHEXYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-; RefChem:199223; DTXCID70137731; NSC95898
8-(环己硫基)-1,3-二甲基-6-硫代-1,6-二氢-7H-嘌呤-2(3H)-酮 · CAS 6493-42-1 · C13H18N4OS2. UNII SYJ83Z0DLH.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.