5-Chloro-3-(methylthio)-1h-1,2,4-triazole
TL;DR: 5-Chloro-3-(methylthio)-1h-1,2,4-triazole (CAS 51108-40-8) is a chemical compound with molecular formula C3H4ClN3S and molecular weight 148.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methylsulfanyl-1H-1,2,4-triazole
Also Known As: 5-chloro-3-(methylthio)-1h-1,2,4-triazole, 5-chloro-3-methylsulfanyl-1H-1,2,4-triazole, 4602AE, 3-Chlor-5-methylthio-1,2,4-triazol, 5-Chloro-3-(methylsulfanyl)-1H-1,2,4-triazole
| Molecular Formula | C3H4ClN3S |
|---|---|
| Molecular Weight | 148.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.98145 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 51108-40-8 |
|---|---|
| SMILES | CSC1=NNC(=N1)Cl |
| InChIKey | OHSLSIPPSDHLTR-UHFFFAOYSA-N |
Product Overview
5-Chloro-3-(methylthio)-1h-1,2,4-triazole (CAS 51108-40-8), with molecular formula C3H4ClN3S and molecular weight 148.98 g/mol. IUPAC: 5-chloro-3-methylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole
Property Insights of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-(methylthio)-1h-1,2,4-triazole. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-3-(methylthio)-1h-1,2,4-triazole. Following Lipinski's Rule of Five, 5-Chloro-3-(methylthio)-1h-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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-Chloro-3-(methylthio)-1h-1,2,4-triazole?
The CAS number of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole is 51108-40-8.
What is the molecular formula of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole?
The molecular formula of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole is C3H4ClN3S.
What is the molecular weight of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole?
The molecular weight of 5-Chloro-3-(methylthio)-1h-1,2,4-triazole is 148.98 g/mol.
Where can I buy 5-Chloro-3-(methylthio)-1h-1,2,4-triazole?
You can request a quote for 5-Chloro-3-(methylthio)-1h-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-(methylthio)-1h-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-(methylthio)-1h-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.