2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile
TL;DR: 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile (CAS 338959-96-9) 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-amino-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
Also Known As: 2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile, 2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile, 2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)prop-2-enenitrile
| Molecular Formula | C9H6N4OS |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 1.77748 |
| Topological Polar Surface Area | 88.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.02623 |
| Heavy Atoms | 15 |
| Complexity | 520.55475 |
Chemical Identifiers
| CAS Number | 338959-96-9 |
|---|---|
| SMILES | C1=COC(=C1)C=C(C#N)C2=NN=C(S2)N |
Product Overview
2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile (CAS 338959-96-9), with molecular formula C9H6N4OS and molecular weight 218.03 g/mol. IUPAC: 2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile
Property Insights of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile
The XLogP value of 1.77748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile. The TPSA of 88.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile. Following Lipinski's Rule of Five, 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile has 1 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 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile?
The CAS number of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile is 338959-96-9.
What is the molecular formula of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile?
The molecular formula of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile is C9H6N4OS.
What is the molecular weight of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile?
The molecular weight of 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile is 218.03 g/mol.
Where can I buy 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile?
You can request a quote for 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Amino-1,3,4-thiadiazol-2-yl)-3-(2-furyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.