4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
TL;DR: 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid (CAS 138247-13-9) is a chemical compound with molecular formula C11H9NO2S2 and molecular weight 251.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid
Also Known As: 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid, Ethyl 5-(4-n-Butylphenyl)-5-oxovalerate, 5-Thiazolecarboxylic acid, 2,3-dihydro-4-methyl-3-phenyl-2-thioxo-, 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid, 4-methyl-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid
| Molecular Formula | C11H9NO2S2 |
|---|---|
| Molecular Weight | 251.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.00748 |
| Heavy Atoms | 16 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 138247-13-9 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C2=CC=CC=C2)C(=O)O |
| InChIKey | WMNTVZQDOLJKNS-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid (CAS 138247-13-9), with molecular formula C11H9NO2S2 and molecular weight 251.01 g/mol. IUPAC: 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
Property Insights of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
The CAS number of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is 138247-13-9.
What is the molecular formula of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
The molecular formula of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is C11H9NO2S2.
What is the molecular weight of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
The molecular weight of 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is 251.01 g/mol.
Where can I buy 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
You can request a quote for 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.