5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine
TL;DR: 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine (CAS 53918-44-8) is a chemical compound with molecular formula C5H6N4S and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-amine
Also Known As: 3-(2-Propynylsulfanyl)-1H-1,2,4-triazol-5-ylamine, propynylsulfanyltriazolylamine, 3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-amine, TOS-BB-1197, 3-(prop-2-yn-1-ylsulfanyl)-1H-1,2,4-triazol-5-amine
| Molecular Formula | C5H6N4S |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | 0.1122 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.03131 |
| Heavy Atoms | 10 |
| Complexity | 248.39578 |
Chemical Identifiers
| CAS Number | 53918-44-8 |
|---|---|
| SMILES | C#CCSC1=NNC(=N1)N |
Product Overview
5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine (CAS 53918-44-8), with molecular formula C5H6N4S and molecular weight 154.03 g/mol. IUPAC: 3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine
Property Insights of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine
The XLogP value of 0.1122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 4 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-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine?
The CAS number of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine is 53918-44-8.
What is the molecular formula of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine?
The molecular formula of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine is C5H6N4S.
What is the molecular weight of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine?
The molecular weight of 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine is 154.03 g/mol.
Where can I buy 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine?
You can request a quote for 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Propyn-1-ylthio)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.