5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
TL;DR: 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate (CAS 1011404-99-1) is a chemical compound with molecular formula C10H9ClN3S- and molecular weight 238.02057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
Also Known As: 5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate, sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide
Technical Specifications
| Molecular Formula | C10H9ClN3S- |
| Molecular Weight | 238.02057 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 31.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.02057 Da |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| SMILES | CCN1C(=NN=C1[S-])C2=CC=C(C=C2)Cl |
| InChIKey | CPAZNRFBIAFEIA-UHFFFAOYSA-M |
Chemical Property Profile of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
Property Insights of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate. With a topological polar surface area (TPSA) of 31.7 Ų, 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate has 0 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 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate?
The CAS number of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate is 1011404-99-1.
What is the molecular formula of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate?
The molecular formula of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate is C10H9ClN3S-.
What is the molecular weight of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate?
The molecular weight of 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate is 238.02057 g/mol.
Where can I buy 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate?
You can request a quote for 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate?
Yes, CoreyChem provides custom synthesis services for 5-(4-Chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.