3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid
TL;DR: 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid (CAS 116493-00-6) is a chemical compound with molecular formula C13H8ClNO2S2 and molecular weight 308.9685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid
Also Known As: tert-Butylhydroperoxide, Maybridge1_004561, 3-(3-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid, 3-(3-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid, I14-63468
Technical Specifications
| Molecular Formula | C13H8ClNO2S2 |
| Molecular Weight | 308.9685 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.9685 Da |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
| SMILES | CSC1=C(C(=C(S1)C(=O)O)C2=CC(=CC=C2)Cl)C#N |
| InChIKey | LWQYECDLWRDJLA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid
Property Insights of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid
The XLogP value of 4.3 indicates that 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid has 1 hydrogen bond donor(s) and 5 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-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid?
The CAS number of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid is 116493-00-6.
What is the molecular formula of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid?
The molecular formula of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid is C13H8ClNO2S2.
What is the molecular weight of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid?
The molecular weight of 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid is 308.9685 g/mol.
Where can I buy 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid?
You can request a quote for 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Chlorophenyl)-4-Cyano-5-(Methylthio)Thiophene-2-Carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.