![methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate structure](/static/products/1164/116492-98-9.webp)
methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
TL;DR: methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate (CAS 116492-98-9) is a chemical compound with molecular formula C15H10F3NO2S2 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Also Known As: methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate, Methyl 4-cyano-5-(methylsulfanyl)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate, Methyl 4-cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxylate
| Molecular Formula | C15H10F3NO2S2 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 4.81408 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.0105 |
| Heavy Atoms | 23 |
| Complexity | 790.9953 |
Chemical Identifiers
| CAS Number | 116492-98-9 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate (CAS 116492-98-9), with molecular formula C15H10F3NO2S2 and molecular weight 357.01 g/mol. IUPAC: methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate.
Chemical Property Profile of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Property Insights of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
The XLogP value of 4.81408 indicates that methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-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 methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The CAS number of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is 116492-98-9.
What is the molecular formula of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The molecular formula of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is C15H10F3NO2S2.
What is the molecular weight of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The molecular weight of methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is 357.01 g/mol.
Where can I buy methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
You can request a quote for methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]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-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.