![5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol structure](/static/products/7310/731012-13-8.webp)
5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol (CAS 731012-13-8) is a chemical compound with molecular formula C9H8ClN3S2 and molecular weight 256.9848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-chlorophenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol, 5-[(2-chlorobenzyl)thio]-4H-1,2,4-triazole-3-thiol, 5-[(2-chlorophenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazole-3-thione, 5-{[(2-chlorophenyl)methyl]sulfanyl}-1,2-dihydro-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C9H8ClN3S2 |
| Molecular Weight | 256.9848 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.9848 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=S)NN2)Cl |
| InChIKey | AYLMIXWIPYTMSR-UHFFFAOYSA-N |
Chemical Property Profile of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 2 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-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol is 731012-13-8.
What is the molecular formula of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol is C9H8ClN3S2.
What is the molecular weight of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol is 256.9848 g/mol.
Where can I buy 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-{[(2-chlorophenyl)methyl]sulfanyl}-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-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.