Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester (CAS 132605-06-2) is a chemical compound with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-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-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester, 4,5,6,7-Tetrahydro-2-(3-methylthioureido)-5-methylbenzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl 5-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 5-methyl-2-[(methylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, N-[3-(Ethoxycarbonyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-N'-methylcarbamimidothioic acid
| Molecular Formula | C14H20N2O2S2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.9658 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.09662 |
| Heavy Atoms | 20 |
| Complexity | 525.4887 |
Chemical Identifiers
| CAS Number | 132605-06-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NC |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester (CAS 132605-06-2), with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol. IUPAC: ethyl 5-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
The XLogP value of 2.9658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester. With a topological polar surface area (TPSA) of 50.36 Ų, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-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
Frequently Asked Questions
What is the CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is 132605-06-2.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-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-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester is 312.10 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-(((methylamino)thioxomethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.