4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 945-53-9) is a chemical compound with molecular formula C8H6Cl2N4S and molecular weight 259.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol, 4-Amino-5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-amino-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione, BAS 01290480, 4-Amino-3-(2,4-dichlorophenyl)-5-mercapto-4H-1,2,4-triazole
| Molecular Formula | C8H6Cl2N4S |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.96902 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 945-53-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=NNC(=S)N2N |
| InChIKey | MRAFZTIQQGCSTN-UHFFFAOYSA-N |
Product Overview
4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 945-53-9), with molecular formula C8H6Cl2N4S and molecular weight 259.97 g/mol. IUPAC: 4-amino-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 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 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 945-53-9.
What is the molecular formula of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C8H6Cl2N4S.
What is the molecular weight of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 259.97 g/mol.
Where can I buy 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.