Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
TL;DR: Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate (CAS 175202-73-0) is a chemical compound with molecular formula C11H16O4S3 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
Also Known As: ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate, ethyl 4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 4-[(1-methylethyl)sulfonyl]-5-(methylthio)-, ethyl ester, Ethyl 3-(isopropylsulfonyl)-2-(methylthio)thiophene-5-carboxylate, 2-Thiophenecarboxylicacid, 4-[(1-methylethyl)sulfonyl]-5-(methylthio)-, ethyl ester
| Molecular Formula | C11H16O4S3 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.8288 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.0211 |
| Heavy Atoms | 18 |
| Complexity | 528.4833 |
Chemical Identifiers
| CAS Number | 175202-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C(C)C |
Product Overview
Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate (CAS 175202-73-0), with molecular formula C11H16O4S3 and molecular weight 308.02 g/mol. IUPAC: ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
Property Insights of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate
The XLogP value of 2.8288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate?
The CAS number of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate is 175202-73-0.
What is the molecular formula of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate?
The molecular formula of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate is C11H16O4S3.
What is the molecular weight of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate?
The molecular weight of Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate is 308.02 g/mol.
Where can I buy Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate?
You can request a quote for Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.