5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 494790-33-9) is a chemical compound with molecular formula C13H12ClN5S and molecular weight 305.05 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-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H12ClN5S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.29221 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0502 |
| Heavy Atoms | 20 |
| Complexity | 815.1518 |
Chemical Identifiers
| CAS Number | 494790-33-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C2=NNC(=S)N2C3=CC=CC=C3)Cl |
Product Overview
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 494790-33-9), with molecular formula C13H12ClN5S and molecular weight 305.05 g/mol. IUPAC: 3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.29221 indicates that 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-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-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 494790-33-9.
What is the molecular formula of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol is C13H12ClN5S.
What is the molecular weight of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 305.05 g/mol.
Where can I buy 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-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-phenyl-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-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.