![methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate structure](/static/products/7082/708227-99-0.webp)
methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate
TL;DR: methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate (CAS 708227-99-0) is a chemical compound with molecular formula C21H20N2O2S3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate, methyl 5-ethyl-2-({[2-(phenylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate, methyl 5-ethyl-2-(3-(2-(phenylthio)phenyl)thioureido)thiophene-3-carboxylate, methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate, Methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)thiocarbamoylamino]thiophene-3-carboxylate
| Molecular Formula | C21H20N2O2S3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 6.0572 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.0687 |
| Heavy Atoms | 28 |
| Complexity | 970.7919 |
Chemical Identifiers
| CAS Number | 708227-99-0 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC |
Product Overview
methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate (CAS 708227-99-0), with molecular formula C21H20N2O2S3 and molecular weight 428.07 g/mol. IUPAC: methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate
Property Insights of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate
The XLogP value of 6.0572 indicates that methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate 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 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate 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 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate?
The CAS number of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate is 708227-99-0.
What is the molecular formula of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate?
The molecular formula of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate is C21H20N2O2S3.
What is the molecular weight of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate?
The molecular weight of methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate is 428.07 g/mol.
Where can I buy methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate?
You can request a quote for methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-ethyl-2-({[(2-phenylthiophenyl)amino]thioxomethyl}amino)thiophene-3-c arboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.