Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
TL;DR: Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 175202-61-6) is a chemical compound with molecular formula C8H9NO3S2 and molecular weight 231.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-carbamoyl-5-methylsulfanylthiophene-2-carboxylate
Also Known As: Maybridge3_003614, methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate, IDI1_015001, 3-BROMO-2-METHOXY-5-NITROPYRIDINE, methyl 4-carbamoyl-5-methylsulfanylthiophene-2-carboxylate
| Molecular Formula | C8H9NO3S2 |
|---|---|
| Molecular Weight | 231.00 g/mol |
| LogP | 1.3555 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.00238 |
| Heavy Atoms | 14 |
| Complexity | 372.66333 |
Chemical Identifiers
| CAS Number | 175202-61-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(S1)SC)C(=O)N |
Product Overview
Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 175202-61-6), with molecular formula C8H9NO3S2 and molecular weight 231.00 g/mol. IUPAC: methyl 4-carbamoyl-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
Property Insights of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 1.3555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate is 175202-61-6.
What is the molecular formula of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate is C8H9NO3S2.
What is the molecular weight of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate is 231.00 g/mol.
Where can I buy Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Methyl 4-(aminocarbonyl)-5-(methylthio)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 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.