![3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile structure](/static/products/866/866009-83-8.png)
3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
TL;DR: 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile (CAS 866009-83-8) is a chemical compound with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanenitrile
Also Known As: 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile, 3-[2-sulfanylidene-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]propanenitrile, 3-(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanenitrile, 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3-yl]propanenitrile, 5-(2-Thienyl)-2-thioxo-1,3,4-oxadiazole-3(2H)-propanenitrile
| Molecular Formula | C9H7N3OS2 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 2.84777 |
| Topological Polar Surface Area | 54.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.00305 |
| Heavy Atoms | 15 |
| Complexity | 532.4487 |
Chemical Identifiers
| CAS Number | 866009-83-8 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN(C(=S)O2)CCC#N |
Product Overview
3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile (CAS 866009-83-8), with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol. IUPAC: 3-(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanenitrile.
Chemical Property Profile of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
Property Insights of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile
The XLogP value of 2.84777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile. With a topological polar surface area (TPSA) of 54.75 Ų, 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile 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-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The CAS number of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is 866009-83-8.
What is the molecular formula of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The molecular formula of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is C9H7N3OS2.
What is the molecular weight of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
The molecular weight of 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile is 237.00 g/mol.
Where can I buy 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
You can request a quote for 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(2-thienyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.