5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 117320-61-3) is a chemical compound with molecular formula C8H6ClN3S and molecular weight 210.9971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol, ASISCHEM D51170, BB_SC-5264, 5-(3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione, KSC-10-46
Technical Specifications
| Molecular Formula | C8H6ClN3S |
| Molecular Weight | 210.9971 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.9971 Da |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C2=NC(=S)NN2 |
| InChIKey | NTQZVPQAJQHJLJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-chlorophenyl)-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-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3-chlorophenyl)-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
What is the CAS number of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 117320-61-3.
What is the molecular formula of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C8H6ClN3S.
What is the molecular weight of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 210.9971 g/mol.
Where can I buy 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-chlorophenyl)-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 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.