5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol
TL;DR: 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol (CAS 26212-44-2) is a chemical compound with molecular formula C8H5Cl2N3S and molecular weight 244.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(2,4-Dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol, 5-(2,4-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione, BAS 00603871, 4h-1,2,4-triazole-3-thiol, 5-(2,4-dichlorophenyl)-
| Molecular Formula | C8H5Cl2N3S |
|---|---|
| Molecular Weight | 244.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.95813 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 26212-44-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=NC(=S)NN2 |
| InChIKey | BZLULSOSPSQTAL-UHFFFAOYSA-N |
Product Overview
5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol (CAS 26212-44-2), with molecular formula C8H5Cl2N3S and molecular weight 244.96 g/mol. IUPAC: 5-(2,4-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol
Property Insights of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol has 2 hydrogen bond donor(s) and 1 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-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol?
The CAS number of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol is 26212-44-2.
What is the molecular formula of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol?
The molecular formula of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol is C8H5Cl2N3S.
What is the molecular weight of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol?
The molecular weight of 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol is 244.96 g/mol.
Where can I buy 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol?
You can request a quote for 5-(2,4-Dichloro-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-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-Dichloro-phenyl)-4H-(1,2,4)triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.