4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
TL;DR: 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile (CAS 127406-79-5) is a chemical compound with molecular formula C11H8N2S and molecular weight 200.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methyl-1,3-thiazol-4-yl)benzonitrile
Also Known As: 4-(2-methyl-1,3-thiazol-4-yl)benzonitrile, 4-(2-Methylthiazol-4-yl)benzonitrile, Maybridge3_006920, Benzonitrile, 4-(2-methyl-4-thiazolyl)-, Benzonitrile,4-(2-methyl-4-thiazolyl)-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2S |
| Molecular Weight | 200.04082 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.04082 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | CC1=NC(=CS1)C2=CC=C(C=C2)C#N |
| InChIKey | FOKBMJMDQCPNJI-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
Property Insights of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(2-Methyl-1,3-thiazol-4-yl)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
What is the CAS number of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile?
The CAS number of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile is 127406-79-5.
What is the molecular formula of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile?
The molecular formula of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile is C11H8N2S.
What is the molecular weight of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile?
The molecular weight of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile is 200.04082 g/mol.
Where can I buy 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile?
You can request a quote for 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.