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Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
TL;DR: Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate (CAS 172516-35-7) is a chemical compound with molecular formula C18H18O3S2 and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
Also Known As: ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate, Maybridge1_004618, ethyl 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate, I14-35085, ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
| Molecular Formula | C18H18O3S2 |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 4.7361 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.06973 |
| Heavy Atoms | 23 |
| Complexity | 719.368 |
Chemical Identifiers
| CAS Number | 172516-35-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SCC3=CC=CC=C3 |
Product Overview
Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate (CAS 172516-35-7), with molecular formula C18H18O3S2 and molecular weight 346.07 g/mol. IUPAC: ethyl 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate.
Chemical Property Profile of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
Property Insights of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
The XLogP value of 4.7361 indicates that Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[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 43.37 Ų, Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate has 0 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 Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate?
The CAS number of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate is 172516-35-7.
What is the molecular formula of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate?
The molecular formula of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate is C18H18O3S2.
What is the molecular weight of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate?
The molecular weight of Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate is 346.07 g/mol.
Where can I buy Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate?
You can request a quote for Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[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-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(benzylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.