4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1039009-36-3) is a chemical compound with molecular formula C8H9N5S and molecular weight 207.05786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclopropyl-5-pyrazol-5-yl-1,2,4-triazole-3-thiol, 4-Cyclopropyl-5-(1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-cyclopropyl-5-(2H-pyrazol-3-yl)-2H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C8H9N5S |
| Molecular Weight | 207.05786 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05786 Da |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
| SMILES | C1CC1N2C(=NNC2=S)C3=CC=NN3 |
| InChIKey | RQZUWRZLUFKAQV-UHFFFAOYSA-N |
Chemical Property Profile of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-cyclopropyl-5-(1H-pyrazol-5-yl)-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-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 1039009-36-3.
What is the molecular formula of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C8H9N5S.
What is the molecular weight of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 207.05786 g/mol.
Where can I buy 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-cyclopropyl-5-(1H-pyrazol-5-yl)-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-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-cyclopropyl-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.