5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol
TL;DR: 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol (CAS 565172-45-4) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopropyl-2-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol, 3-cyclopropyl-2-phenyl-1H-1,2,4-triazole-5-thione, 5-Cyclopropyl-1-phenyl-1H-[1,2,4]triazole-3-thiol, 5-cyclopropyl-1-phenyl-2H-1,2,4-triazole-3-thione, 5-cyclopropyl-1-phenyl-2,3-dihydro-1H-1,2,4-triazole-3-thione
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.80729 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 522.2661 |
Chemical Identifiers
| CAS Number | 565172-45-4 |
|---|---|
| SMILES | C1CC1C2=NC(=S)NN2C3=CC=CC=C3 |
Product Overview
5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol (CAS 565172-45-4), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 3-cyclopropyl-2-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol
Property Insights of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol
The XLogP value of 2.80729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol?
The CAS number of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol is 565172-45-4.
What is the molecular formula of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol?
The molecular formula of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol is C11H11N3S.
What is the molecular weight of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol?
The molecular weight of 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol is 217.07 g/mol.
Where can I buy 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol?
You can request a quote for 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-cyclopropyl-1-phenyl-1H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.