6-(Methylthio)purine (CAS 50-66-8) — formula C6H6N4S, molecular weight 166.21; category organic chemicals.
| CAS Number | 50-66-8 |
|---|---|
| Molecular Formula | C6H6N4S |
| Molecular Weight | 166.21 |
| LogP | 0.57 |
| Category | Organic Chemicals |
6-(Methylthio)purine is a carbon-based organic compound with CAS registry number 50-66-8 and molecular formula C6H6N4S (molecular weight 166.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50-66-8
Its molecular formula C6H6N4S comprises 6 C, 6 H, 4 N, 1 S atoms.
Also known as: 6-(Methylthio)purine · 6-(甲硫基)嘌呤
Category: organic chemicals
The CAS registry number of 6-(Methylthio)purine is 50-66-8.
Molecular formula C6H6N4S, molecular weight 166.21.
It is also registered under: 6-(Methylthio)purine, 6-(甲硫基)嘌呤.
Category: Organic Chemicals.
Independent reference data for 6-(Methylthio)purine (CAS 50-66-8), compiled from public chemistry databases.
| CAS Registry Number | 50-66-8 |
|---|---|
| PubChem CID | 5778 |
| Molecular formula | C6H6N4S |
| IUPAC name | 6-methylsulfanyl-7H-purine |
| UNII (FDA) | 6V404DV25O |
| Molecular Weight | 166.21 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 166.03131738 |
| Monoisotopic Mass | 166.03131738 |
| Topological Polar Surface Area | 79.8 |
| Heavy Atom Count | 11 |
| LogP | 0.57 |
|---|---|
| Collision Cross Section | 145.7 Ų [M+Na]+ |
| Collision Cross Section | 130 Ų [M+H]+ |
| Collision Cross Section | 128 Ų [M-H]- |
6-Methylmercaptopurine; 6-(Methylthio)purine; 50-66-8; 6-Methylthiopurine; 6-(methylsulfanyl)-9H-purine; Thiopurine S-methylether; 6V404DV25O; NSC-20105; CHEBI:28279; 6-[Methylthio]purine; RefChem:914047; 200-057-3; methylmercaptopurine; 6-methylsulfanyl-7H-purine; 6-(Methylthio)-9H-purine; 1H-Purine, 6-(methylthio)-
6-(Methylthio)purine · CAS 50-66-8 · C6H6N4S. UNII 6V404DV25O. LogP: 0.57; Collision Cross Section: 145.7 Ų [M+Na]+; Collision Cross Section: 130 Ų [M+H]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-(甲硫基)嘌呤