1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione

C17H14N2S — CID 86032036

IUPAC1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione
SMILESCn1c(=S)c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2S/c1-19-16-10-6-5-9-14(16)18-15(17(19)20)12-11-13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyMUTQKBRFQOHRLN-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.47
Rot. Bonds2

About 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione

1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione (PubChem CID 86032036) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione
PubChem CID86032036
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione
SMILESCn1c(=S)c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2S/c1-19-16-10-6-5-9-14(16)18-15(17(19)20)12-11-13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyMUTQKBRFQOHRLN-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione?
The IUPAC name of 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione (CID 86032036) is 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione.
What is the SMILES notation for 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione?
The canonical SMILES for 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione is Cn1c(=S)c(C=Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione?
The InChIKey is MUTQKBRFQOHRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-19-16-10-6-5-9-14(16)18-15(17(19)20)12-11-13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione?
1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione has a molecular weight of 278.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethenyl)quinoxaline-2-thione is sourced from PubChem (CID 86032036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).