Purine-6(3H)-thione, 3,7-dimethyl-
TL;DR: Purine-6(3H)-thione, 3,7-dimethyl- (CAS 5759-60-4) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylpurine-6-thione
Also Known As: 3,7-Dimethyl-6-thiopurine, 3,7-dimethylpurine-6-thione, Purine-6(3H)-thione, 3,7-dimethyl-, 3,7-Dihydro-3,7-dimethyl-6H-purine-6-thione, 6H-Purine-6-thione, 3,7-dihydro-3,7-dimethyl-
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 5759-60-4 |
|---|---|
| SMILES | CN1C=NC2=C1C(=S)N=CN2C |
| InChIKey | CXPIJEUDYDHMRY-UHFFFAOYSA-N |
Product Overview
Purine-6(3H)-thione, 3,7-dimethyl- (CAS 5759-60-4), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 3,7-dimethylpurine-6-thione.
Chemical Property Profile of Purine-6(3H)-thione, 3,7-dimethyl-
Property Insights of Purine-6(3H)-thione, 3,7-dimethyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine-6(3H)-thione, 3,7-dimethyl-. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine-6(3H)-thione, 3,7-dimethyl-. Following Lipinski's Rule of Five, Purine-6(3H)-thione, 3,7-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Purine-6(3H)-thione, 3,7-dimethyl-?
The CAS number of Purine-6(3H)-thione, 3,7-dimethyl- is 5759-60-4.
What is the molecular formula of Purine-6(3H)-thione, 3,7-dimethyl-?
The molecular formula of Purine-6(3H)-thione, 3,7-dimethyl- is C7H8N4S.
What is the molecular weight of Purine-6(3H)-thione, 3,7-dimethyl-?
The molecular weight of Purine-6(3H)-thione, 3,7-dimethyl- is 180.05 g/mol.
Where can I buy Purine-6(3H)-thione, 3,7-dimethyl-?
You can request a quote for Purine-6(3H)-thione, 3,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine-6(3H)-thione, 3,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Purine-6(3H)-thione, 3,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.