5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole
TL;DR: 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole (CAS 66894-07-3) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole
Also Known As: 5-PHENYL-3-PROP-2-YNYLTHIO-1H-1,2,4-TRIAZOLE, 5-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole, 5-phenyl-3-propargylmercapto-1,2,4-triazole, J1.264.343H, 3-phenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 2.197 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 470.0783 |
Chemical Identifiers
| CAS Number | 66894-07-3 |
|---|---|
| SMILES | C#CCSC1=NNC(=N1)C2=CC=CC=C2 |
Product Overview
5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole (CAS 66894-07-3), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 5-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole
Property Insights of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole
The XLogP value of 2.197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole?
The CAS number of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole is 66894-07-3.
What is the molecular formula of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole?
The molecular formula of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole is C11H9N3S.
What is the molecular weight of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole?
The molecular weight of 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole is 215.05 g/mol.
Where can I buy 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole?
You can request a quote for 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.