1-(pyridin-3-yl)-1H-tetrazole-5-thiol
TL;DR: 1-(pyridin-3-yl)-1H-tetrazole-5-thiol (CAS 62770-11-0) is a chemical compound with molecular formula C6H5N5S and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-3-yl-2H-tetrazole-5-thione
Also Known As: 1-(pyridin-3-yl)-1H-tetrazole-5-thiol, ZERO/005804, 1-(3-Pyridyl)-1H-tetrazole-5-thiol, 1-pyridin-3-yl-2H-tetrazole-5-thione, 1-(3-pyridyl)-2H-tetrazole-5-thione
| Molecular Formula | C6H5N5S |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 0.71989 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02657 |
| Heavy Atoms | 12 |
| Complexity | 416.75842 |
Chemical Identifiers
| CAS Number | 62770-11-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)N2C(=S)N=NN2 |
Product Overview
1-(pyridin-3-yl)-1H-tetrazole-5-thiol (CAS 62770-11-0), with molecular formula C6H5N5S and molecular weight 179.03 g/mol. IUPAC: 1-pyridin-3-yl-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol
Property Insights of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol
The XLogP value of 0.71989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(pyridin-3-yl)-1H-tetrazole-5-thiol. With a topological polar surface area (TPSA) of 59.39 Ų, 1-(pyridin-3-yl)-1H-tetrazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(pyridin-3-yl)-1H-tetrazole-5-thiol 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 1-(pyridin-3-yl)-1H-tetrazole-5-thiol?
The CAS number of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol is 62770-11-0.
What is the molecular formula of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol is C6H5N5S.
What is the molecular weight of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(pyridin-3-yl)-1H-tetrazole-5-thiol is 179.03 g/mol.
Where can I buy 1-(pyridin-3-yl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(pyridin-3-yl)-1H-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(pyridin-3-yl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(pyridin-3-yl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.