8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one (CAS 6493-46-5) — formula C14H21N5OS2, molecular weight 339.5; category organic chemicals.
| CAS Number | 6493-46-5 |
|---|---|
| Molecular Formula | C14H21N5OS2 |
| Molecular Weight | 339.5 |
| LogP | 1.9 |
| Category | Organic Chemicals |
8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one is a carbon-based organic compound with CAS registry number 6493-46-5 and molecular formula C14H21N5OS2 (molecular weight 339.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6493-46-5
Its molecular formula C14H21N5OS2 comprises 14 C, 21 H, 5 N, 1 O, 2 S atoms.
Also known as: 8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one · 8-[(2-哌啶基乙基)硫基]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮
Category: organic chemicals
The CAS registry number of 8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one is 6493-46-5.
Molecular formula C14H21N5OS2, molecular weight 339.5.
It is also registered under: 8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one, 8-[(2-哌啶基乙基)硫基]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮.
Category: Organic Chemicals.
Independent reference data for 8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one (CAS 6493-46-5), compiled from public chemistry databases.
| CAS 号 | 6493-46-5 |
|---|---|
| PubChem CID | 3034549 |
| 分子式 | C14H21N5OS2 |
| IUPAC 名称 | 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one |
| UNII（FDA） | NK34ILR06E |
| Molecular Weight | 339.5 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.11875266 |
| Monoisotopic Mass | 339.11875266 |
| Topological Polar Surface Area | 113 |
| Heavy Atom Count | 22 |
Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-; 6493-46-5; NK34ILR06E; NSC 98001; BRN 1156493; NSC-98001; 6-Thio-8-(beta-N-piperidylethyl)thiotheophylline; UNII-NK34ILR06E; Uric acid, 1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio-; DTXSID10215244; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-(1-piperidinyl)ethyl)thio)-6-thioxo-2H-purin-2-one; Theophylline, 8-[(2-piperidinoethyl)thio]-6-thio-; THEOPHYLLINE, 8-((2-PIPERIDINOETHYL)THIO)-6-THIO-; 2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PIPERIDINYL)ETHYL)THIO)-6-THIOXO-; Theophylline, 8-[2-(piperidinoethyl)thio]-6-thio-; RefChem:196745
8-[(2-哌啶基乙基)硫基]-3,7-二氢-1,3-二甲基-6-硫代-1H-嘌呤-2-酮 · CAS 6493-46-5 · C14H21N5OS2. UNII NK34ILR06E.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.