Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-
TL;DR: Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- (CAS 3652-25-3) is a chemical compound with molecular formula C10H10N4S and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
Also Known As: 4H-1,2,4-Triazole, 3-allylmercapto-5-(4-pyridyl)-, 3-Allylmercapto-5-(4-pyridyl)-1,2,4(H)-triazole, Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-, Pyridine, 4-[5-(allylthio)-s-triazol-3-yl]-, 3-Allylmercapto-5-
| Molecular Formula | C10H10N4S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06262 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 3652-25-3 |
|---|---|
| SMILES | C=CCSC1=NNC(=N1)C2=CC=NC=C2 |
| InChIKey | FKKPQIICTJVDHP-UHFFFAOYSA-N |
Product Overview
Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- (CAS 3652-25-3), with molecular formula C10H10N4S and molecular weight 218.06 g/mol. IUPAC: 4-(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine.
Chemical Property Profile of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-
Property Insights of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-. Following Lipinski's Rule of Five, Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- has 1 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 Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-?
The CAS number of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- is 3652-25-3.
What is the molecular formula of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-?
The molecular formula of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- is C10H10N4S.
What is the molecular weight of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-?
The molecular weight of Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- is 218.06 g/mol.
Where can I buy Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-?
You can request a quote for Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.