4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 144729-37-3) is a chemical compound with molecular formula C8H6Cl2N4S and molecular weight 259.96902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-amino-3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione, 4-Amino-3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-amino-5-(3,5-dichlorophenyl)-1,2,4-triazole-3-thiol, 4H-1,2,4-triazole-3-thiol, 4-amino-5-(3,5-dichlorophenyl)-
Technical Specifications
| Molecular Formula | C8H6Cl2N4S |
| Molecular Weight | 259.96902 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.96902 Da |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C2=NNC(=S)N2N |
| InChIKey | HXHXUIPLUMATJO-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol 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
What is the CAS number of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 144729-37-3.
What is the molecular formula of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is C8H6Cl2N4S.
What is the molecular weight of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 259.96902 g/mol.
Where can I buy 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-amino-5-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.