N-[1-(thiophen-3-yl)ethylidene]hydroxylamine

• ChemBase ID: 804447
• Molecular Formular: C6H7NOS
• Molecular Mass: 141.19088
• Monoisotopic Mass: 141.02483485
• SMILES: C(=NO)(C)c1cscc1
• Canonical SMILES: ON=C(c1cscc1)C
• InChI: InChI=1S/C6H7NOS/c1-5(7-8)6-2-3-9-4-6/h2-4,8H,1H3
• InChIKey: KXCHBSNEAXRGCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(thiophen-3-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: N-[1-(thiophen-3-yl)ethylidene]hydroxylamine
• Synonyms: 1-(3-THIENYL)ETHANONE, OXIME

Database IDs

• CAS Number: 59445-83-9

CALCULATED PROPERTIES

• Molar Refractivity: 37.3883 cm^3
• Polarizability: 14.095028 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 10.313974
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3206785
• LogD (pH = 7.4): 1.3202857
• Log P: 1.3208151

PROPERTIES

Product Information

• Purity: 98%