4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
TL;DR: 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole (CAS 5340-72-7) is a chemical compound with molecular formula C6H7N3S and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
Also Known As: 4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole, J1.075.604I, 4-Methyl-3-(propargylthio)-4H-1,2,4-triazole, 4-methyl-3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole, 4-Methyl-3-[(prop-2-yn-1-yl)sulfanyl]-4H-1,2,4-triazole
| Molecular Formula | C6H7N3S |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 0.5404 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.03607 |
| Heavy Atoms | 10 |
| Complexity | 247.74077 |
Chemical Identifiers
| CAS Number | 5340-72-7 |
|---|---|
| SMILES | CN1C=NN=C1SCC#C |
Product Overview
4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole (CAS 5340-72-7), with molecular formula C6H7N3S and molecular weight 153.04 g/mol. IUPAC: 4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
Property Insights of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
The XLogP value of 0.5404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.71 Ų, 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole has 0 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 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole?
The CAS number of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole is 5340-72-7.
What is the molecular formula of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole?
The molecular formula of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole is C6H7N3S.
What is the molecular weight of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole?
The molecular weight of 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole is 153.04 g/mol.
Where can I buy 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole?
You can request a quote for 4-Methyl-3-prop-2-ynylsulfanyl-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 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.