1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-
TL;DR: 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- (CAS 57295-56-4) is a chemical compound with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-, 5-26-03-00278 (Beilstein Handbook Reference), 3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-1,2,4-triazole, 3-(4-Chlorophenyl)-1-methyl-5-(methylthio)-1H-1,2,4-triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazole
| Molecular Formula | C10H10ClN3S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.8574 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0284 |
| Heavy Atoms | 15 |
| Complexity | 464.01978 |
Chemical Identifiers
| CAS Number | 57295-56-4 |
|---|---|
| SMILES | CN1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC |
Product Overview
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- (CAS 57295-56-4), with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol. IUPAC: 3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-
Property Insights of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-
The XLogP value of 2.8574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-. With a topological polar surface area (TPSA) of 30.71 Ų, 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- has 0 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 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-?
The CAS number of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- is 57295-56-4.
What is the molecular formula of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-?
The molecular formula of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- is C10H10ClN3S.
What is the molecular weight of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-?
The molecular weight of 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- is 239.03 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-?
You can request a quote for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.