![methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate structure](/static/products/5887/588711-01-7.webp)
methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate
TL;DR: methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate (CAS 588711-01-7) is a chemical compound with molecular formula C15H15ClN2O2S2 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chlorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate, methyl 2-(3-(3-chlorophenyl)thioureido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[(3-chlorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate, Methyl 2-[(3-chlorophenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate, methyl 2-{[(3-chlorophenyl)carbamothioyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C15H15ClN2O2S2 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 4.61384 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.02634 |
| Heavy Atoms | 22 |
| Complexity | 728.3277 |
Chemical Identifiers
| CAS Number | 588711-01-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC=C2)Cl)C |
Product Overview
methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate (CAS 588711-01-7), with molecular formula C15H15ClN2O2S2 and molecular weight 354.03 g/mol. IUPAC: methyl 2-[(3-chlorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate
Property Insights of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate
The XLogP value of 4.61384 indicates that methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-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-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate 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 methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate?
The CAS number of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate is 588711-01-7.
What is the molecular formula of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate?
The molecular formula of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate is C15H15ClN2O2S2.
What is the molecular weight of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate?
The molecular weight of methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate is 354.03 g/mol.
Where can I buy methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate?
You can request a quote for methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-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-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(3-chlorophenyl)amino]thioxomethyl}amino)-4,5-dimethylthiophene-3- carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.