![(5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile structure](/static/products/6047/604739-83-5.webp)
(5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile
TL;DR: (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile (CAS 604739-83-5) is a chemical compound with molecular formula C9H6N4OS and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetonitrile
Also Known As: ethyl 4-isobutylbenzoylformate, ASN 06347040, (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile, (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetonitrile, {[5-(2-Pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetonitrile
| Molecular Formula | C9H6N4OS |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 1.74728 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.02623 |
| Heavy Atoms | 15 |
| Complexity | 476.3576 |
Chemical Identifiers
| CAS Number | 604739-83-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(O2)SCC#N |
Product Overview
(5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile (CAS 604739-83-5), with molecular formula C9H6N4OS and molecular weight 218.03 g/mol. IUPAC: 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetonitrile.
Chemical Property Profile of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile
Property Insights of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile
The XLogP value of 1.74728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile. Following Lipinski's Rule of Five, (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile has 0 hydrogen bond donor(s) and 6 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-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile?
The CAS number of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile is 604739-83-5.
What is the molecular formula of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile?
The molecular formula of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile is C9H6N4OS.
What is the molecular weight of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile?
The molecular weight of (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile is 218.03 g/mol.
Where can I buy (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile?
You can request a quote for (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.