4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol (CAS 91813-63-7) 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-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol, CHEMBRDG-BB 3018053, 4-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione, 4-ALLYL-3-(2-PYRIDYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE, 4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C10H10N4S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.18869 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06262 |
| Heavy Atoms | 15 |
| Complexity | 511.7187 |
Chemical Identifiers
| CAS Number | 91813-63-7 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC=CC=N2 |
Product Overview
4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol (CAS 91813-63-7), with molecular formula C10H10N4S and molecular weight 218.06 g/mol. IUPAC: 4-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.18869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol 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 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol is 91813-63-7.
What is the molecular formula of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol is C10H10N4S.
What is the molecular weight of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol is 218.06 g/mol.
Where can I buy 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.