4-methyl-6-(trifluoromethylsulfanyl)quinoline

C11H8F3NS — CID 761219

IUPAC4-methyl-6-(trifluoromethylsulfanyl)quinoline
SMILESCc1ccnc2ccc(SC(F)(F)F)cc12
InChIInChI=1S/C11H8F3NS/c1-7-4-5-15-10-3-2-8(6-9(7)10)16-11(12,13)14/h2-6H,1H3
InChIKeyOWBAVCODNRRPKB-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.16
Rot. Bonds1

About 4-methyl-6-(trifluoromethylsulfanyl)quinoline

4-methyl-6-(trifluoromethylsulfanyl)quinoline (PubChem CID 761219) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethylsulfanyl)quinoline.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethylsulfanyl)quinoline
PubChem CID761219
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name4-methyl-6-(trifluoromethylsulfanyl)quinoline
SMILESCc1ccnc2ccc(SC(F)(F)F)cc12
InChIInChI=1S/C11H8F3NS/c1-7-4-5-15-10-3-2-8(6-9(7)10)16-11(12,13)14/h2-6H,1H3
InChIKeyOWBAVCODNRRPKB-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethylsulfanyl)quinoline?
The IUPAC name of 4-methyl-6-(trifluoromethylsulfanyl)quinoline (CID 761219) is 4-methyl-6-(trifluoromethylsulfanyl)quinoline.
What is the SMILES notation for 4-methyl-6-(trifluoromethylsulfanyl)quinoline?
The canonical SMILES for 4-methyl-6-(trifluoromethylsulfanyl)quinoline is Cc1ccnc2ccc(SC(F)(F)F)cc12.
What is the InChIKey of 4-methyl-6-(trifluoromethylsulfanyl)quinoline?
The InChIKey is OWBAVCODNRRPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c1-7-4-5-15-10-3-2-8(6-9(7)10)16-11(12,13)14/h2-6H,1H3.
What are the key properties of 4-methyl-6-(trifluoromethylsulfanyl)quinoline?
4-methyl-6-(trifluoromethylsulfanyl)quinoline has a molecular weight of 243.25 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethylsulfanyl)quinoline is sourced from PubChem (CID 761219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).