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Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate
TL;DR: Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate (CAS 175202-53-6) is a chemical compound with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate
Also Known As: Maybridge3_003654, IDI1_015041, ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate, ethyl 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate, Benzo[c]thiophene-1-carboxylic acid, 6,7-dihydro-3-(methylthio)-, ethyl ester
| Molecular Formula | C12H14O2S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.6061 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.04352 |
| Heavy Atoms | 16 |
| Complexity | 432.47232 |
Chemical Identifiers
| CAS Number | 175202-53-6 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCC=CC2=C(S1)SC |
Product Overview
Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate (CAS 175202-53-6), with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol. IUPAC: ethyl 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate.
Chemical Property Profile of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate
Property Insights of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate
The XLogP value of 3.6061 indicates that Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate has 0 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 Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate?
The CAS number of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate is 175202-53-6.
What is the molecular formula of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate?
The molecular formula of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate is C12H14O2S2.
What is the molecular weight of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate?
The molecular weight of Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate is 254.04 g/mol.
Where can I buy Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate?
You can request a quote for Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.