5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 512808-30-9) is a chemical compound with molecular formula C14H14ClN5S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 3-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H14ClN5S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.06586 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 512808-30-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3Cl)C)C |
| InChIKey | NSTONUHPDDLKGD-UHFFFAOYSA-N |
Product Overview
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 512808-30-9), with molecular formula C14H14ClN5S and molecular weight 319.07 g/mol. IUPAC: 3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.2 indicates that 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol 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-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 512808-30-9.
What is the molecular formula of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is C14H14ClN5S.
What is the molecular weight of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 319.07 g/mol.
Where can I buy 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-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-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.