(E)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine

• ChemBase ID: 258855
• Molecular Formular: C12H11NOS
• Molecular Mass: 217.28684
• Monoisotopic Mass: 217.05613498
• SMILES: s1c(ccc1c1ccccc1)/C(=N/O)/C
• Canonical SMILES: O/N=C(/c1ccc(s1)c1ccccc1)\C
• InChI: InChI=1S/C12H11NOS/c1-9(13-14)11-7-8-12(15-11)10-5-3-2-4-6-10/h2-8,14H,1H3/b13-9+
• InChIKey: HVGHVIACTNKFLO-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine
• Synonyms: (E)-N-[1-(5-phenylthiophen-2-yl)ethylidene]hydroxylamine

Database IDs

• MDL Number: MFCD11857877
• PubChem SID: 164314765
• PubChem CID: 10727503

CALCULATED PROPERTIES

• Acid pKa: 9.802309
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0970802
• LogD (pH = 7.4): 3.095474
• Log P: 3.0971859
• Molar Refractivity: 62.0927 cm^3
• Polarizability: 25.049383 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.06

Product Information

• Purity: 95%