2-phenylsulfanylquinoxaline

C14H10N2S — CID 5100142

IUPAC2-phenylsulfanylquinoxaline
SMILESc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H10N2S/c1-2-6-11(7-3-1)17-14-10-15-12-8-4-5-9-13(12)16-14/h1-10H
InChIKeyQUNPJFCGVAQCHD-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.78
Rot. Bonds2

About 2-phenylsulfanylquinoxaline

2-phenylsulfanylquinoxaline (PubChem CID 5100142) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-phenylsulfanylquinoxaline.

Molecular Properties

Compound Name2-phenylsulfanylquinoxaline
PubChem CID5100142
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name2-phenylsulfanylquinoxaline
SMILESc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H10N2S/c1-2-6-11(7-3-1)17-14-10-15-12-8-4-5-9-13(12)16-14/h1-10H
InChIKeyQUNPJFCGVAQCHD-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylquinoxaline?
The IUPAC name of 2-phenylsulfanylquinoxaline (CID 5100142) is 2-phenylsulfanylquinoxaline.
What is the SMILES notation for 2-phenylsulfanylquinoxaline?
The canonical SMILES for 2-phenylsulfanylquinoxaline is c1ccc(Sc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-phenylsulfanylquinoxaline?
The InChIKey is QUNPJFCGVAQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-6-11(7-3-1)17-14-10-15-12-8-4-5-9-13(12)16-14/h1-10H.
What are the key properties of 2-phenylsulfanylquinoxaline?
2-phenylsulfanylquinoxaline has a molecular weight of 238.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylquinoxaline is sourced from PubChem (CID 5100142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).