4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione
TL;DR: 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione (CAS 142989-11-5) is a chemical compound with molecular formula C9H8ClN3S and molecular weight 225.01274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-2-methyl-1,2,4-triazole-3-thione
Also Known As: 8N-673S, 4-(4-chlorophenyl)-2-methyl-1,2,4-triazole-3-thione, 4-(4-chlorophenyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(4-chlorophenyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C9H8ClN3S |
| Molecular Weight | 225.01274 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.01274 Da |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
| SMILES | CN1C(=S)N(C=N1)C2=CC=C(C=C2)Cl |
| InChIKey | AYWXOLOQRAUPAT-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione
Property Insights of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 50.9 Ų, 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione has 0 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 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione?
The CAS number of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione is 142989-11-5.
What is the molecular formula of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione?
The molecular formula of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione is C9H8ClN3S.
What is the molecular weight of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione?
The molecular weight of 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione is 225.01274 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione?
You can request a quote for 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-2-methyl-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.