2-(4-methylphenyl)sulfanylquinoxaline

C15H12N2S — CID 3393241

IUPAC2-(4-methylphenyl)sulfanylquinoxaline
SMILESCc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2S/c1-11-6-8-12(9-7-11)18-15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKeyDHDSJQSPNOZFPG-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.09
Rot. Bonds2

About 2-(4-methylphenyl)sulfanylquinoxaline

2-(4-methylphenyl)sulfanylquinoxaline (PubChem CID 3393241) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylquinoxaline
PubChem CID3393241
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-(4-methylphenyl)sulfanylquinoxaline
SMILESCc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2S/c1-11-6-8-12(9-7-11)18-15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKeyDHDSJQSPNOZFPG-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanylquinoxaline?
The IUPAC name of 2-(4-methylphenyl)sulfanylquinoxaline (CID 3393241) is 2-(4-methylphenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(4-methylphenyl)sulfanylquinoxaline is Cc1ccc(Sc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanylquinoxaline?
The InChIKey is DHDSJQSPNOZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-11-6-8-12(9-7-11)18-15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanylquinoxaline?
2-(4-methylphenyl)sulfanylquinoxaline has a molecular weight of 252.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylquinoxaline is sourced from PubChem (CID 3393241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).