5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile
TL;DR: 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile (CAS 120456-32-8) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile
Also Known As: 5-acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile, 2-HYDROXYTETRACOSANOICACID, 3-Thiophenecarbonitrile,5-acetyl-2-hydroxy-4-methyl-, 3-Thiophenecarbonitrile,5-acetyl-2-hydroxy-4-methyl, 5-acetyl-2-hydroxy-4-methyl-3-Thiophenecarbonitrile
Technical Specifications
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.01974 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.01974 Da |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
| SMILES | CC1=C(SC(=C1C#N)O)C(=O)C |
| InChIKey | ZGOZJDITBOCFPV-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile
Property Insights of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile. Following Lipinski's Rule of Five, 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile has 1 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 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile?
The CAS number of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile is 120456-32-8.
What is the molecular formula of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile?
The molecular formula of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile is C8H7NO2S.
What is the molecular weight of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile?
The molecular weight of 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile is 181.01974 g/mol.
Where can I buy 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile?
You can request a quote for 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.