2-{[(2,5-dichlorophenyl)(oxo)imino]methyl}thiophene

• ChemBase ID: 83068
• Molecular Formular: C11H7Cl2NOS
• Molecular Mass: 272.15038
• Monoisotopic Mass: 270.96254021
• SMILES: [N+](=C\c1cccs1)(/c1c(ccc(c1)Cl)Cl)\[O-]
• Canonical SMILES: Clc1ccc(c(c1)/[N+](=C/c1cccs1)/[O-])Cl
• InChI: InChI=1S/C11H7Cl2NOS/c12-8-3-4-10(13)11(6-8)14(15)7-9-2-1-5-16-9/h1-7H
• InChIKey: GRCJWHFUEYPCHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2,5-dichlorophenyl)(oxo)imino]methyl}thiophene
• IUPAC Traditional name: 2-{[(2,5-dichlorophenyl)(oxo)imino]methyl}thiophene
• Synonyms: (2,5-dichlorophenyl)(2-thienylmethylidene)ammoniumolate

Database IDs

• MDL Number: MFCD00114893
• PubChem SID: 162070187
• PubChem CID: 5709105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.384255
• LogD (pH = 7.4): 4.3842554
• Log P: 4.3842554
• Molar Refractivity: 77.7307 cm^3
• Polarizability: 25.50239 Å^3
• Polar Surface Area: 28.75 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true