![Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) structure](/static/products/5887/588712-88-3.webp)
Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
TL;DR: Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) (CAS 588712-88-3) is a chemical compound with molecular formula C19H19N3O3S3 and molecular weight 433.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI), Benzo[b]thiophene-3-carboxylicacid,2-[[[4-ethyl-3- -5-methyl-2-thienyl]amino]thioxomethyl]hydrazide, methyl 2-({[(benzo[b]thiophen-3-ylcarbonylamino)amino]thioxomethyl}amino)-4-et hyl-5-methylthiophene-3-carboxylate, Methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C19H19N3O3S3 |
|---|---|
| Molecular Weight | 433.06 g/mol |
| LogP | 4.25162 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.05887 |
| Heavy Atoms | 28 |
| Complexity | 1055.3022 |
Chemical Identifiers
| CAS Number | 588712-88-3 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32)C |
Product Overview
Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) (CAS 588712-88-3), with molecular formula C19H19N3O3S3 and molecular weight 433.06 g/mol. IUPAC: methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
Property Insights of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
The XLogP value of 4.25162 indicates that Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI). Following Lipinski's Rule of Five, Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) has 3 hydrogen bond donor(s) and 6 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, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
The CAS number of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is 588712-88-3.
What is the molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
The molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is C19H19N3O3S3.
What is the molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
The molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) is 433.06 g/mol.
Where can I buy Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
You can request a quote for Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) 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, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-carboxylic acid, 2-[[[4-ethyl-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.