2-ethylsulfanyl-6-(trifluoromethyl)pyridine

C8H8F3NS — CID 142669772

IUPAC2-ethylsulfanyl-6-(trifluoromethyl)pyridine
SMILESCCSc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3NS/c1-2-13-7-5-3-4-6(12-7)8(9,10)11/h3-5H,2H2,1H3
InChIKeyLTHXJLSLZKMPSH-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.21
Rot. Bonds2

About 2-ethylsulfanyl-6-(trifluoromethyl)pyridine

2-ethylsulfanyl-6-(trifluoromethyl)pyridine (PubChem CID 142669772) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(trifluoromethyl)pyridine
PubChem CID142669772
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name2-ethylsulfanyl-6-(trifluoromethyl)pyridine
SMILESCCSc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3NS/c1-2-13-7-5-3-4-6(12-7)8(9,10)11/h3-5H,2H2,1H3
InChIKeyLTHXJLSLZKMPSH-UHFFFAOYSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-ethylsulfanyl-6-(trifluoromethyl)pyridine (CID 142669772) is 2-ethylsulfanyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-ethylsulfanyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-ethylsulfanyl-6-(trifluoromethyl)pyridine is CCSc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-ethylsulfanyl-6-(trifluoromethyl)pyridine?
The InChIKey is LTHXJLSLZKMPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-2-13-7-5-3-4-6(12-7)8(9,10)11/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-6-(trifluoromethyl)pyridine?
2-ethylsulfanyl-6-(trifluoromethyl)pyridine has a molecular weight of 207.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 142669772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).