Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester (CAS 132605-05-1) is a chemical compound with molecular formula C14H20N2O2S2 and molecular weight 312.09662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester, 4,5,6,7-Tetrahydro-2-(3-methylthioureido)-6-methylbenzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl 6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-[(methylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, N-[3-(Ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-N'-methylcarbamimidothioic acid
Technical Specifications
| Molecular Formula | C14H20N2O2S2 |
| Molecular Weight | 312.09662 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09662 Da |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC |
| InChIKey | YOUZDDZQRKSDRJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
The XLogP value of 4.0 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-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 Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-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 Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is 132605-05-1.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is C14H20N2O2S2.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is 312.09662 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-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 Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.