3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole
TL;DR: 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole (CAS 53918-08-4) is a chemical compound with molecular formula C5H5N3S and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-prop-2-ynylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-(prop-2-ynylthio)-1H-1,2,4-triazole, 5-(Propargylthio)-1H-1,2,4-triazole, 3-(2-propynylthio)-1H-1,2,4-triazole, 5-(2-Propynylthio)-1H-1,2,4-triazole, 3-prop-2-ynylsulfanyl-2H-1,2,4-triazole
| Molecular Formula | C5H5N3S |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.02042 |
| Heavy Atoms | 9 |
| Complexity | 198.47772 |
Chemical Identifiers
| CAS Number | 53918-08-4 |
|---|---|
| SMILES | C#CCSC1=NC=NN1 |
Product Overview
3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole (CAS 53918-08-4), with molecular formula C5H5N3S and molecular weight 139.02 g/mol. IUPAC: 5-prop-2-ynylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole
Property Insights of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(prop-2-yn-1-ylsulfanyl)-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 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole?
The CAS number of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole is 53918-08-4.
What is the molecular formula of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole?
The molecular formula of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole is C5H5N3S.
What is the molecular weight of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole?
The molecular weight of 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole is 139.02 g/mol.
Where can I buy 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole?
You can request a quote for 3-(prop-2-yn-1-ylsulfanyl)-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 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.