N-[bis(thiophen-2-yl)methylidene]hydroxylamine

• ChemBase ID: 79491
• Molecular Formular: C9H7NOS2
• Molecular Mass: 209.28798
• Monoisotopic Mass: 208.99690585
• SMILES: s1c(ccc1)/C(=N/O)/c1cccs1
• Canonical SMILES: O/N=C(/c1cccs1)\c1cccs1
• InChI: InChI=1S/C9H7NOS2/c11-10-9(7-3-1-5-12-7)8-4-2-6-13-8/h1-6,11H
• InChIKey: UXSSDPITEOFAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[bis(thiophen-2-yl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[bis(thiophen-2-yl)methylidene]hydroxylamine
• Synonyms: di2-thienylmethanone oxime; Bis-2-thienyl ketoxime; Di(2-thienyl)methanone oxime; Di-2-thienyl ketoxime; 双(2-噻吩)酮肟

Database IDs

• CAS Number: 10558-44-8
• MDL Number: MFCD00173896; MFCD00209632
• PubChem SID: 162044254
• PubChem CID: 2775140

CALCULATED PROPERTIES

• Acid pKa: 7.7406907
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2653563
• LogD (pH = 7.4): 3.1054008
• Log P: 3.2678413
• Molar Refractivity: 54.235 cm^3
• Polarizability: 20.512438 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130-134°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%