Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester
TL;DR: Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester (CAS 132605-08-4) is a chemical compound with molecular formula C15H16N2O2S2 and molecular weight 320.0653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(methylcarbamothioylamino)-4-phenylthiophene-3-carboxylate
Also Known As: Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester, ethyl 2-(methylcarbamothioylamino)-4-phenylthiophene-3-carboxylate, Ethyl 2-(((methylamino)thioxomethyl)amino)-4-phenylthiophene-3-carboxylate, ethyl 2-[(methylcarbamothioyl)amino]-4-phenylthiophene-3-carboxylate, ethyl 2-(methylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C15H16N2O2S2 |
| Molecular Weight | 320.0653 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.0653 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC |
| InChIKey | GHUNMSMWUMHIJJ-UHFFFAOYSA-N |
Chemical Property Profile of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester
Property Insights of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester
The XLogP value of 3.9 indicates that Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester. Following Lipinski's Rule of Five, Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester has 2 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 Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester?
The CAS number of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester is 132605-08-4.
What is the molecular formula of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester?
The molecular formula of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester is C15H16N2O2S2.
What is the molecular weight of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester?
The molecular weight of Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester is 320.0653 g/mol.
Where can I buy Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester?
You can request a quote for Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Thiophene-3-carboxylic acid, 2-(((methylamino)thioxomethyl)amino)-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.