2-(thiophen-2-yl)quinoxaline

• ChemBase ID: 79237
• Molecular Formular: C12H8N2S
• Molecular Mass: 212.27032
• Monoisotopic Mass: 212.04081927
• SMILES: n1c2c(ncc1c1cccs1)cccc2
• Canonical SMILES: c1csc(c1)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C12H8N2S/c1-2-5-10-9(4-1)13-8-11(14-10)12-6-3-7-15-12/h1-8H
• InChIKey: ADGDUIDDAMQKAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)quinoxaline
• IUPAC Traditional name: 2-(thiophen-2-yl)quinoxaline
• Synonyms: 2-(2-thienyl)quinoxaline

Database IDs

• CAS Number: 40353-41-1
• MDL Number: MFCD00067832
• PubChem SID: 162044000
• PubChem CID: 251141

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1092842
• LogD (pH = 7.4): 3.1093018
• Log P: 3.109302
• Molar Refractivity: 59.1045 cm^3
• Polarizability: 25.76179 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true