![methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate structure](/static/products/7067/706769-62-2.webp)
methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate
TL;DR: methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate (CAS 706769-62-2) is a chemical compound with molecular formula C20H18N2O2S3 and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate, methyl 2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate, methyl 2-(3-(2-(methylthio)phenyl)thioureido)-5-phenylthiophene-3-carboxylate, methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C20H18N2O2S3 |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | 5.7325 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.05304 |
| Heavy Atoms | 27 |
| Complexity | 954.8705 |
Chemical Identifiers
| CAS Number | 706769-62-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC |
Product Overview
methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate (CAS 706769-62-2), with molecular formula C20H18N2O2S3 and molecular weight 414.05 g/mol. IUPAC: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate
Property Insights of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate
The XLogP value of 5.7325 indicates that methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- 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 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
The CAS number of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is 706769-62-2.
What is the molecular formula of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
The molecular formula of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is C20H18N2O2S3.
What is the molecular weight of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
The molecular weight of methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate is 414.05 g/mol.
Where can I buy methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
You can request a quote for methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2-methylthiophenyl)amino]thioxomethyl}amino)-5-phenylthiophene-3- carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.