![1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one structure](/static/products/898/89806-03-1.png)
1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one
TL;DR: 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one (CAS 89806-03-1) is a chemical compound with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methylsulfanyl-2-pyridin-4-yl-2H-1,3,4-thiadiazol-3-yl)ethanone
Also Known As: 1-(5-methylsulfanyl-2-pyridin-4-yl-2H-1,3,4-thiadiazol-3-yl), 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one, 1-(5-methylsulfanyl-2-pyridin-4-yl-2H-1,3,4-thiadiazol-3-yl)ethanone, 1-[5-methylsulfanyl-2-(4-pyridyl)-2H-1,3,4-thiadiazol-3-yl]ethanone, 4-[3-Acetyl-5-(methylthio)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pyridine
| Molecular Formula | C10H11N3OS2 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.03435 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 89806-03-1 |
|---|---|
| SMILES | CC(=O)N1C(SC(=N1)SC)C2=CC=NC=C2 |
| InChIKey | BMIOTLLSRPQBON-UHFFFAOYSA-N |
Product Overview
1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one (CAS 89806-03-1), with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol. IUPAC: 1-(5-methylsulfanyl-2-pyridin-4-yl-2H-1,3,4-thiadiazol-3-yl)ethanone.
Chemical Property Profile of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one
Property Insights of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one. Following Lipinski's Rule of Five, 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one has 0 hydrogen bond donor(s) and 5 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-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one?
The CAS number of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one is 89806-03-1.
What is the molecular formula of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one?
The molecular formula of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one is C10H11N3OS2.
What is the molecular weight of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one?
The molecular weight of 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one is 253.03 g/mol.
Where can I buy 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one?
You can request a quote for 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(Methylsulfanyl)-2-(pyridin-4-yl)-1,3,4-thiadiazol-3(2H)-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.