2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine

C8H9F3N2OS — CID 169267616

IUPAC2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine
SMILESCSOC(C)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-5(14-15-2)6-3-12-4-7(13-6)8(9,10)11/h3-5H,1-2H3
InChIKeyWDACHBHWSLUQBA-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.85
Rot. Bonds3

About 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine

2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine (PubChem CID 169267616) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine
PubChem CID169267616
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine
SMILESCSOC(C)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-5(14-15-2)6-3-12-4-7(13-6)8(9,10)11/h3-5H,1-2H3
InChIKeyWDACHBHWSLUQBA-UHFFFAOYSA-N
XLogP2.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
1,1-Difluoro-2-[5-(hydroxymethyl)pyrazin-2-yl]propan-2-ol
CID 69608293
2-(1-Ethoxyethyl)pyrazine
CID 71406239
1,1,1-Trifluoro-2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol
CID 132098692
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)propan-2-ol
CID 132099865
1-[3-(Trifluoromethyl)pyrazin-2-yl]ethyl methanesulfonate
CID 135155062
1-(6-(Trifluoromethyl)pyrazin-2-yl)ethan-1-ol
CID 164920760
1-[5-(Trifluoromethyl)pyrazin-2-yl]ethanol
CID 167221132
[5-(Trifluoromethyl)pyrazin-2-yl]methyl methanesulfonate
CID 168208698
2-(1-Ethoxyethyl)-6-(trifluoromethyl)pyrazine
CID 170748488

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine (CID 169267616) is 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine is CSOC(C)c1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine?
The InChIKey is WDACHBHWSLUQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5(14-15-2)6-3-12-4-7(13-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine?
2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine has a molecular weight of 238.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanyloxyethyl)-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 169267616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).