6-methylsulfanyl-2-(trifluoromethyl)quinoline

C11H8F3NS — CID 100988429

IUPAC6-methylsulfanyl-2-(trifluoromethyl)quinoline
SMILESCSc1ccc2nc(C(F)(F)F)ccc2c1
InChIInChI=1S/C11H8F3NS/c1-16-8-3-4-9-7(6-8)2-5-10(15-9)11(12,13)14/h2-6H,1H3
InChIKeyPTHAWFAGCAGRKH-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.98
Rot. Bonds1

About 6-methylsulfanyl-2-(trifluoromethyl)quinoline

6-methylsulfanyl-2-(trifluoromethyl)quinoline (PubChem CID 100988429) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 6-methylsulfanyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-methylsulfanyl-2-(trifluoromethyl)quinoline
PubChem CID100988429
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name6-methylsulfanyl-2-(trifluoromethyl)quinoline
SMILESCSc1ccc2nc(C(F)(F)F)ccc2c1
InChIInChI=1S/C11H8F3NS/c1-16-8-3-4-9-7(6-8)2-5-10(15-9)11(12,13)14/h2-6H,1H3
InChIKeyPTHAWFAGCAGRKH-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-methylsulfanyl-2-(trifluoromethyl)quinoline (CID 100988429) is 6-methylsulfanyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-methylsulfanyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-methylsulfanyl-2-(trifluoromethyl)quinoline is CSc1ccc2nc(C(F)(F)F)ccc2c1.
What is the InChIKey of 6-methylsulfanyl-2-(trifluoromethyl)quinoline?
The InChIKey is PTHAWFAGCAGRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c1-16-8-3-4-9-7(6-8)2-5-10(15-9)11(12,13)14/h2-6H,1H3.
What are the key properties of 6-methylsulfanyl-2-(trifluoromethyl)quinoline?
6-methylsulfanyl-2-(trifluoromethyl)quinoline has a molecular weight of 243.25 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 100988429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).