4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol (CAS 66921-08-2) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-propyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol, 3-propyl-4-phenyl-5-mercapto-1,2,4-triazole, 4-phenyl-3-propyl-1H-1,2,4-triazole-5-thione, 4-phenyl-5-propyl-1,2,4-triazole-3-thiol, 3-Mercapto-4-phenyl-5-propyl-1,2,4-triazole
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.88239 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 484.03418 |
Chemical Identifiers
| CAS Number | 66921-08-2 |
|---|---|
| SMILES | CCCC1=NNC(=S)N1C2=CC=CC=C2 |
Product Overview
4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol (CAS 66921-08-2), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 4-phenyl-3-propyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.88239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-5-propyl-4H-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 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol is 66921-08-2.
What is the molecular formula of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol is C11H13N3S.
What is the molecular weight of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol is 219.08 g/mol.
Where can I buy 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-Phenyl-5-propyl-4H-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 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.