2-(4-ethylsulfanylphenyl)quinoxaline

C16H14N2S — CID 3040874

IUPAC2-(4-ethylsulfanylphenyl)quinoxaline
SMILESCCSc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2S/c1-2-19-13-9-7-12(8-10-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-11H,2H2,1H3
InChIKeyVSOBRHKTBVOZDL-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-ethylsulfanylphenyl)quinoxaline

2-(4-ethylsulfanylphenyl)quinoxaline (PubChem CID 3040874) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)quinoxaline.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)quinoxaline
PubChem CID3040874
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-(4-ethylsulfanylphenyl)quinoxaline
SMILESCCSc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2S/c1-2-19-13-9-7-12(8-10-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-11H,2H2,1H3
InChIKeyVSOBRHKTBVOZDL-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)quinoxaline?
The IUPAC name of 2-(4-ethylsulfanylphenyl)quinoxaline (CID 3040874) is 2-(4-ethylsulfanylphenyl)quinoxaline.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)quinoxaline?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)quinoxaline is CCSc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)quinoxaline?
The InChIKey is VSOBRHKTBVOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-2-19-13-9-7-12(8-10-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-11H,2H2,1H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)quinoxaline?
2-(4-ethylsulfanylphenyl)quinoxaline has a molecular weight of 266.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)quinoxaline is sourced from PubChem (CID 3040874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).