ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine

C8H11F3N2S — CID 156817562

IUPACethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine
SMILESCC.Cc1cnc(SC(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2S.C2H6/c1-4-2-11-5(3-10-4)12-6(7,8)9;1-2/h2-3H,1H3;1-2H3
InChIKeyZILIBUIKNAGYEE-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.42
Rot. Bonds1

About ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine

ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine (PubChem CID 156817562) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine.

Molecular Properties

Compound Nameethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine
PubChem CID156817562
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Nameethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine
SMILESCC.Cc1cnc(SC(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2S.C2H6/c1-4-2-11-5(3-10-4)12-6(7,8)9;1-2/h2-3H,1H3;1-2H3
InChIKeyZILIBUIKNAGYEE-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine?
The IUPAC name of ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine (CID 156817562) is ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine.
What is the SMILES notation for ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine?
The canonical SMILES for ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine is CC.Cc1cnc(SC(F)(F)F)cn1.
What is the InChIKey of ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine?
The InChIKey is ZILIBUIKNAGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S.C2H6/c1-4-2-11-5(3-10-4)12-6(7,8)9;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine?
ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine has a molecular weight of 224.25 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(trifluoromethylsulfanyl)pyrazine is sourced from PubChem (CID 156817562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).