5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 266337-73-9) is a chemical compound with molecular formula C13H9Cl2N5S and molecular weight 337.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 3-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione, 5- -4- -4H-1,2,4-TRIAZOLE-3-THIOL, 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiol, 5-(2-Chloro-6-methyl-4-pyrimidinyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H9Cl2N5S |
|---|---|
| Molecular Weight | 337.00 g/mol |
| LogP | 4.00211 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.99557 |
| Heavy Atoms | 21 |
| Complexity | 833.49335 |
Chemical Identifiers
| CAS Number | 266337-73-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)Cl |
Product Overview
5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 266337-73-9), with molecular formula C13H9Cl2N5S and molecular weight 337.00 g/mol. IUPAC: 3-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.00211 indicates that 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-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 59.39 Ų, 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 266337-73-9.
What is the molecular formula of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C13H9Cl2N5S.
What is the molecular weight of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 337.00 g/mol.
Where can I buy 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-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-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.