![3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile structure](/static/products/304/304666-70-4.png)
3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile
TL;DR: 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile (CAS 304666-70-4) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-methylthiophen-2-yl)methylideneamino]benzonitrile
Also Known As: 3-{[(5-methyl-2-thienyl)methylene]amino}benzonitrile, 3-[(5-methylthiophen-2-yl)methylideneamino]benzonitrile, AN-329/10552014, 3-{[(E)-(5-methylthiophen-2-yl)methylidene]amino}benzonitrile, 3-[(1E)-2-(5-methyl(2-thienyl))-1-azavinyl]benzenecarbonitrile
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 304666-70-4 |
|---|---|
| SMILES | CC1=CC=C(S1)C=NC2=CC=CC(=C2)C#N |
| InChIKey | DHNVQQMDHJLCTL-UHFFFAOYSA-N |
Product Overview
3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile (CAS 304666-70-4), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 3-[(5-methylthiophen-2-yl)methylideneamino]benzonitrile.
Chemical Property Profile of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile
Property Insights of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile
The XLogP value of 3.4 indicates that 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile. Following Lipinski's Rule of Five, 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile has 0 hydrogen bond donor(s) and 3 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-Methyl-2-thienyl)methylene]amino}benzonitrile?
The CAS number of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile is 304666-70-4.
What is the molecular formula of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile?
The molecular formula of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile is C13H10N2S.
What is the molecular weight of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile?
The molecular weight of 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile is 226.06 g/mol.
Where can I buy 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile?
You can request a quote for 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(5-Methyl-2-thienyl)methylene]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.