5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole
TL;DR: 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole (CAS 1024255-51-3) is a chemical compound with molecular formula C11H8ClN3S and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole
Also Known As: 5-(3-CHLOROPHENYL)-3-PROP-2-YNYLTHIO-1H-1,2,4-TRIAZOLE, 5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole, 5-(3-chlorophenyl)-3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole, 3-(3-chlorophenyl)-5-prop-2-ynylsulfanyl-2H-1,2,4-triazole, 5-(3-Chlorophenyl)-3-(prop-2-yn-1-ylthio)-1H-1,2,4-triazole
| Molecular Formula | C11H8ClN3S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 2.8504 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.01274 |
| Heavy Atoms | 16 |
| Complexity | 530.0211 |
Chemical Identifiers
| CAS Number | 1024255-51-3 |
|---|---|
| SMILES | C#CCSC1=NNC(=N1)C2=CC(=CC=C2)Cl |
Product Overview
5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole (CAS 1024255-51-3), with molecular formula C11H8ClN3S and molecular weight 249.01 g/mol. IUPAC: 5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole
Property Insights of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole
The XLogP value of 2.8504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 5-(3-Chlorophenyl)-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-(3-Chlorophenyl)-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-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole?
The CAS number of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole is 1024255-51-3.
What is the molecular formula of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole?
The molecular formula of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole is C11H8ClN3S.
What is the molecular weight of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole?
The molecular weight of 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole is 249.01 g/mol.
Where can I buy 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole?
You can request a quote for 5-(3-Chlorophenyl)-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-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-3-prop-2-ynylthio-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.