3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile
TL;DR: 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile (CAS 133641-33-5) is a chemical compound with molecular formula C11H6N2OS and molecular weight 214.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(cyanomethoxy)-1-benzothiophene-2-carbonitrile
Also Known As: 3-(cyanomethoxy)-1-benzothiophene-2-carbonitrile, 3-(cyanomethoxy)benzothiophene-2-carbonitrile, 4F-969, Benzo[b]thiophene-2-carbonitrile, 3-(cyanomethoxy)-, C11H6N2OS
Technical Specifications
| Molecular Formula | C11H6N2OS |
| Molecular Weight | 214.02008 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.02008 Da |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C#N)OCC#N |
| InChIKey | SFTVAECSVCRAAM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile
Property Insights of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile. Following Lipinski's Rule of Five, 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile 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
What is the CAS number of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile?
The CAS number of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile is 133641-33-5.
What is the molecular formula of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile?
The molecular formula of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile is C11H6N2OS.
What is the molecular weight of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile?
The molecular weight of 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile is 214.02008 g/mol.
Where can I buy 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile?
You can request a quote for 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Cyanomethoxy)-1-benzothiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.