(E)-methoxy[1-(thiophen-2-yl)ethylidene]amine

• ChemBase ID: 302351
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: C/C(=N\OC)/c1cccs1
• Canonical SMILES: CO/N=C(/c1cccs1)\C
• InChI: InChI=1S/C7H9NOS/c1-6(8-9-2)7-4-3-5-10-7/h3-5H,1-2H3/b8-6+
• InChIKey: MVULPIMMDLDKBD-SOFGYWHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-methoxy[1-(thiophen-2-yl)ethylidene]amine
• IUPAC Traditional name: (E)-methoxy[1-(thiophen-2-yl)ethylidene]amine
• Synonyms: 2-Acetylthiophene O-methyloxime; 2-乙酰基噻吩 邻甲基肟

Database IDs

• CAS Number: 114773-97-6
• MDL Number: MFCD00151791
• Beilstein Number: 5806966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8310052
• LogD (pH = 7.4): 1.8312125
• Log P: 1.8312153
• Molar Refractivity: 41.6547 cm^3
• Polarizability: 15.931705 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75°C/2mm
• Refractive Index: 1.5670

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%