2-(4-methylsulfanylphenyl)quinoxaline

C15H12N2S — CID 3040873

IUPAC2-(4-methylsulfanylphenyl)quinoxaline
SMILESCSc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2S/c1-18-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKeyFTPYEGSDQHXEHH-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.02
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)quinoxaline

2-(4-methylsulfanylphenyl)quinoxaline (PubChem CID 3040873) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)quinoxaline.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)quinoxaline
PubChem CID3040873
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-(4-methylsulfanylphenyl)quinoxaline
SMILESCSc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2S/c1-18-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKeyFTPYEGSDQHXEHH-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)quinoxaline?
The IUPAC name of 2-(4-methylsulfanylphenyl)quinoxaline (CID 3040873) is 2-(4-methylsulfanylphenyl)quinoxaline.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)quinoxaline?
The canonical SMILES for 2-(4-methylsulfanylphenyl)quinoxaline is CSc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)quinoxaline?
The InChIKey is FTPYEGSDQHXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-18-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)quinoxaline?
2-(4-methylsulfanylphenyl)quinoxaline has a molecular weight of 252.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)quinoxaline is sourced from PubChem (CID 3040873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).