4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
TL;DR: 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester (CAS 132605-03-9) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.0653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(methylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester, ethyl 2-[(methylcarbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, 2-(3-Methylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester, ethyl 2-(methylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-[(METHYLCARBAMOTHIOYL)AMINO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C12H16N2O2S2 |
| Molecular Weight | 284.0653 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0653 Da |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC |
| InChIKey | HLHCVZXBYNAVNB-UHFFFAOYSA-N |
Chemical Property Profile of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
Property Insights of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
The XLogP value of 3.0 indicates that 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, 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 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, 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 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The CAS number of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is 132605-03-9.
What is the molecular formula of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The molecular formula of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is C12H16N2O2S2.
What is the molecular weight of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The molecular weight of 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is 284.0653 g/mol.
Where can I buy 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
You can request a quote for 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.