2,3-bis(ethylsulfanyl)quinoxaline

C12H14N2S2 — CID 2823795

IUPAC2,3-bis(ethylsulfanyl)quinoxaline
SMILESCCSc1nc2ccccc2nc1SCC
InChIInChI=1S/C12H14N2S2/c1-3-15-11-12(16-4-2)14-10-8-6-5-7-9(10)13-11/h5-8H,3-4H2,1-2H3
InChIKeyJKOMENWDWJFFNE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.85
Rot. Bonds4

About 2,3-bis(ethylsulfanyl)quinoxaline

2,3-bis(ethylsulfanyl)quinoxaline (PubChem CID 2823795) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,3-bis(ethylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(ethylsulfanyl)quinoxaline
PubChem CID2823795
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name2,3-bis(ethylsulfanyl)quinoxaline
SMILESCCSc1nc2ccccc2nc1SCC
InChIInChI=1S/C12H14N2S2/c1-3-15-11-12(16-4-2)14-10-8-6-5-7-9(10)13-11/h5-8H,3-4H2,1-2H3
InChIKeyJKOMENWDWJFFNE-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethylsulfanyl)quinoxaline?
The IUPAC name of 2,3-bis(ethylsulfanyl)quinoxaline (CID 2823795) is 2,3-bis(ethylsulfanyl)quinoxaline.
What is the SMILES notation for 2,3-bis(ethylsulfanyl)quinoxaline?
The canonical SMILES for 2,3-bis(ethylsulfanyl)quinoxaline is CCSc1nc2ccccc2nc1SCC.
What is the InChIKey of 2,3-bis(ethylsulfanyl)quinoxaline?
The InChIKey is JKOMENWDWJFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-3-15-11-12(16-4-2)14-10-8-6-5-7-9(10)13-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,3-bis(ethylsulfanyl)quinoxaline?
2,3-bis(ethylsulfanyl)quinoxaline has a molecular weight of 250.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethylsulfanyl)quinoxaline is sourced from PubChem (CID 2823795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).