5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol
TL;DR: 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol (CAS 51938-23-9) 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.
5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione
Also Known As: 5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-thiol, 5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine-3-thiol, 5,7-Dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione, BAS 00534922, 5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 51938-23-9 |
|---|---|
| SMILES | CC1=CC(=NC2=NNC(=S)N12)C |
| InChIKey | YINCJELKAOSUAF-UHFFFAOYSA-N |
Product Overview
5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol (CAS 51938-23-9), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione.
Chemical Property Profile of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol
Property Insights of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol. Following Lipinski's Rule of Five, 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol has 1 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 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol?
The CAS number of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol is 51938-23-9.
What is the molecular formula of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol?
The molecular formula of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol is C7H8N4S.
What is the molecular weight of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol?
The molecular weight of 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol is 180.05 g/mol.
Where can I buy 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol?
You can request a quote for 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-(1,2,4)triazolo(4,3-a)pyrimidine-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.