![methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate structure](/static/products/7082/708243-50-9.webp)
methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate
TL;DR: methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate (CAS 708243-50-9) is a chemical compound with molecular formula C19H21ClN2O2S2 and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate, methyl 3-chloro-6-({[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate, methyl 3-chloro-6-(3-(2-(cyclohex-1-en-1-yl)ethyl)thioureido)benzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H21ClN2O2S2 |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 5.5182 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.0733 |
| Heavy Atoms | 26 |
| Complexity | 860.5863 |
Chemical Identifiers
| CAS Number | 708243-50-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCC3=CCCCC3)Cl |
Product Overview
methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate (CAS 708243-50-9), with molecular formula C19H21ClN2O2S2 and molecular weight 408.07 g/mol. IUPAC: methyl 3-chloro-6-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate
Property Insights of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate
The XLogP value of 5.5182 indicates that methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate?
The CAS number of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate is 708243-50-9.
What is the molecular formula of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate?
The molecular formula of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate is C19H21ClN2O2S2.
What is the molecular weight of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate?
The molecular weight of methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate is 408.07 g/mol.
Where can I buy methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate?
You can request a quote for methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.