1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride
TL;DR: 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride (CAS 4923-16-4) is a chemical compound with molecular formula C7H7ClN4S and molecular weight 214.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione;hydrochloride
Also Known As: 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride, 5-(3-Pyridyl)-1H-1,2,4-triazole-3-thiol hydrochloride, 5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione hydrochloride, 5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione,hydrochloride, 5-(Pyridin-3-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione--hydrogen chloride (1/1)
| Molecular Formula | C7H7ClN4S |
|---|---|
| Molecular Weight | 214.01 g/mol |
| LogP | 1.95109 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.008 |
| Heavy Atoms | 13 |
| Complexity | 421.31253 |
Chemical Identifiers
| CAS Number | 4923-16-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NC(=S)NN2.Cl |
Product Overview
1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride (CAS 4923-16-4), with molecular formula C7H7ClN4S and molecular weight 214.01 g/mol. IUPAC: 5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione;hydrochloride.
Chemical Property Profile of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride
Property Insights of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride
The XLogP value of 1.95109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride. With a topological polar surface area (TPSA) of 57.36 Ų, 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride has 2 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 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride?
The CAS number of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride is 4923-16-4.
What is the molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride?
The molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride is C7H7ClN4S.
What is the molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride?
The molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride is 214.01 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride?
You can request a quote for 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3-thiol, 5-(3-pyridyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.