2,3-bis(phenylsulfanyl)quinoxaline

C20H14N2S2 — CID 2823796

IUPAC2,3-bis(phenylsulfanyl)quinoxaline
SMILESc1ccc(Sc2nc3ccccc3nc2Sc2ccccc2)cc1
InChIInChI=1S/C20H14N2S2/c1-3-9-15(10-4-1)23-19-20(24-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H
InChIKeyBGGKVHUUMJWJIV-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.93
Rot. Bonds4

About 2,3-bis(phenylsulfanyl)quinoxaline

2,3-bis(phenylsulfanyl)quinoxaline (PubChem CID 2823796) has the molecular formula C20H14N2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2,3-bis(phenylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(phenylsulfanyl)quinoxaline
PubChem CID2823796
Molecular FormulaC20H14N2S2
Molecular Weight346.48 g/mol
Exact Mass346.06
IUPAC Name2,3-bis(phenylsulfanyl)quinoxaline
SMILESc1ccc(Sc2nc3ccccc3nc2Sc2ccccc2)cc1
InChIInChI=1S/C20H14N2S2/c1-3-9-15(10-4-1)23-19-20(24-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H
InChIKeyBGGKVHUUMJWJIV-UHFFFAOYSA-N
XLogP5.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylsulfanyl)quinoxaline?
The IUPAC name of 2,3-bis(phenylsulfanyl)quinoxaline (CID 2823796) is 2,3-bis(phenylsulfanyl)quinoxaline.
What is the SMILES notation for 2,3-bis(phenylsulfanyl)quinoxaline?
The canonical SMILES for 2,3-bis(phenylsulfanyl)quinoxaline is c1ccc(Sc2nc3ccccc3nc2Sc2ccccc2)cc1.
What is the InChIKey of 2,3-bis(phenylsulfanyl)quinoxaline?
The InChIKey is BGGKVHUUMJWJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S2/c1-3-9-15(10-4-1)23-19-20(24-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H.
What are the key properties of 2,3-bis(phenylsulfanyl)quinoxaline?
2,3-bis(phenylsulfanyl)quinoxaline has a molecular weight of 346.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylsulfanyl)quinoxaline is sourced from PubChem (CID 2823796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).