(3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
TL;DR: (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile (CAS 847761-45-9) is a chemical compound with molecular formula C8H5N3OS and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
Also Known As: 2-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile, (3-thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile, 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile, 2-3-(thiophen-2-yl)-1,2,4-oxadiazol-5-ylacetonitrile
| Molecular Formula | C8H5N3OS |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 1.86418 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.01534 |
| Heavy Atoms | 13 |
| Complexity | 426.43378 |
Chemical Identifiers
| CAS Number | 847761-45-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NOC(=N2)CC#N |
Product Overview
(3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile (CAS 847761-45-9), with molecular formula C8H5N3OS and molecular weight 191.02 g/mol. IUPAC: 2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile.
Chemical Property Profile of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
Property Insights of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
The XLogP value of 1.86418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile. Following Lipinski's Rule of Five, (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile 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 (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The CAS number of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile is 847761-45-9.
What is the molecular formula of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The molecular formula of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile is C8H5N3OS.
What is the molecular weight of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The molecular weight of (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile is 191.02 g/mol.
Where can I buy (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
You can request a quote for (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-Thien-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.