2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile
TL;DR: 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile (CAS 74228-25-4) is a chemical compound with molecular formula C11H6N2O2S and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile
Also Known As: 2-(1,1-Dioxidobenzo[b]thiophen-3(2H)-ylidene)malononitrile, 2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile, 3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO, 2-(1,1-Dioxidobenzo[b]thien-3(2H)-ylidene)propanedinitrile, 3-(Dicyanomethylene)-2,3-dihydrobenzothiophene-1,1-dioxide
| Molecular Formula | C11H6N2O2S |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 1.27466 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.015 |
| Heavy Atoms | 16 |
| Complexity | 656.6715 |
Chemical Identifiers
| CAS Number | 74228-25-4 |
|---|---|
| SMILES | C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O |
Product Overview
2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile (CAS 74228-25-4), with molecular formula C11H6N2O2S and molecular weight 230.01 g/mol. IUPAC: 2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile
Property Insights of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile
The XLogP value of 1.27466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile has 0 hydrogen bond donor(s) and 4 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-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile?
The CAS number of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile is 74228-25-4.
What is the molecular formula of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile?
The molecular formula of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile is C11H6N2O2S.
What is the molecular weight of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile?
The molecular weight of 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile is 230.01 g/mol.
Where can I buy 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile?
You can request a quote for 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dioxo-1-benzothiophen-3-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.