2,3-bis(prop-2-enylsulfanyl)quinoxaline

C14H14N2S2 — CID 51350473

IUPAC2,3-bis(prop-2-enylsulfanyl)quinoxaline
SMILESC=CCSc1nc2ccccc2nc1SCC=C
InChIInChI=1S/C14H14N2S2/c1-3-9-17-13-14(18-10-4-2)16-12-8-6-5-7-11(12)15-13/h3-8H,1-2,9-10H2
InChIKeyQBWKWEFXNWESAO-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.19
Rot. Bonds6

About 2,3-bis(prop-2-enylsulfanyl)quinoxaline

2,3-bis(prop-2-enylsulfanyl)quinoxaline (PubChem CID 51350473) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,3-bis(prop-2-enylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(prop-2-enylsulfanyl)quinoxaline
PubChem CID51350473
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name2,3-bis(prop-2-enylsulfanyl)quinoxaline
SMILESC=CCSc1nc2ccccc2nc1SCC=C
InChIInChI=1S/C14H14N2S2/c1-3-9-17-13-14(18-10-4-2)16-12-8-6-5-7-11(12)15-13/h3-8H,1-2,9-10H2
InChIKeyQBWKWEFXNWESAO-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enylsulfanyl)quinoxaline?
The IUPAC name of 2,3-bis(prop-2-enylsulfanyl)quinoxaline (CID 51350473) is 2,3-bis(prop-2-enylsulfanyl)quinoxaline.
What is the SMILES notation for 2,3-bis(prop-2-enylsulfanyl)quinoxaline?
The canonical SMILES for 2,3-bis(prop-2-enylsulfanyl)quinoxaline is C=CCSc1nc2ccccc2nc1SCC=C.
What is the InChIKey of 2,3-bis(prop-2-enylsulfanyl)quinoxaline?
The InChIKey is QBWKWEFXNWESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-3-9-17-13-14(18-10-4-2)16-12-8-6-5-7-11(12)15-13/h3-8H,1-2,9-10H2.
What are the key properties of 2,3-bis(prop-2-enylsulfanyl)quinoxaline?
2,3-bis(prop-2-enylsulfanyl)quinoxaline has a molecular weight of 274.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enylsulfanyl)quinoxaline is sourced from PubChem (CID 51350473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).