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Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate
TL;DR: Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate (CAS 588680-33-5) is a chemical compound with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methylthiophene-3-carboxylate, methyl 2-(indoline-1-carbothioamido)-5-methylthiophene-3-carboxylate, methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate, Methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-thiophene-3-carboxylate, methyl 2-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-5-methylthiophene-3-carboxylate
| Molecular Formula | C16H16N2O2S2 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 3.60262 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0653 |
| Heavy Atoms | 22 |
| Complexity | 739.4971 |
Chemical Identifiers
| CAS Number | 588680-33-5 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC |
Product Overview
Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate (CAS 588680-33-5), with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol. IUPAC: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate
Property Insights of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate
The XLogP value of 3.60262 indicates that Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate has 1 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-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate?
The CAS number of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate is 588680-33-5.
What is the molecular formula of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate is C16H16N2O2S2.
What is the molecular weight of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate is 332.07 g/mol.
Where can I buy Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-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-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(indolinylthioxomethyl)amino]-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.