5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione (CAS 28819-38-7) is a chemical compound with molecular formula C7H5N3S2 and molecular weight 194.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyridin-3-yl-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-PYRIDIN-3-YL-1,3,4-THIADIAZOLE-2-THIOL, 5-(pyridin-3-yl)-1,3,4-thiadiazole-2-thiol, 5-pyridin-3-yl-3H-1,3,4-thiadiazole-2-thione, (E)-2-PHENYLETHYLENESULFONAMIDE, 5-(3-pyridyl)-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C7H5N3S2 |
|---|---|
| Molecular Weight | 194.99 g/mol |
| LogP | 2.26269 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.9925 |
| Heavy Atoms | 12 |
| Complexity | 417.47147 |
Chemical Identifiers
| CAS Number | 28819-38-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=S)S2 |
Product Overview
5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione (CAS 28819-38-7), with molecular formula C7H5N3S2 and molecular weight 194.99 g/mol. IUPAC: 5-pyridin-3-yl-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 2.26269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 41.57 Ų, 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione 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 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione is 28819-38-7.
What is the molecular formula of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione is C7H5N3S2.
What is the molecular weight of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione is 194.99 g/mol.
Where can I buy 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Pyridin-3-yl)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.