5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 725217-53-8) is a chemical compound with molecular formula C9H7Cl2N3S and molecular weight 258.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol, CHEMBRDG-BB 3017970, 3-(3,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione, 5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole-3-thiol, 5-(3,4-Dichloro-phenyl)-4-methyl-2,4-dihydro-[1,2,
| Molecular Formula | C9H7Cl2N3S |
|---|---|
| Molecular Weight | 258.97 g/mol |
| LogP | 3.45149 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.9738 |
| Heavy Atoms | 15 |
| Complexity | 558.72534 |
Chemical Identifiers
| CAS Number | 725217-53-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 725217-53-8), with molecular formula C9H7Cl2N3S and molecular weight 258.97 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.45149 indicates that 5-(3,4-dichlorophenyl)-4-methyl-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 33.61 Ų, 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 725217-53-8.
What is the molecular formula of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C9H7Cl2N3S.
What is the molecular weight of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 258.97 g/mol.
Where can I buy 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3,4-dichlorophenyl)-4-methyl-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-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.