4-methyl-N'-[phenyl(thiophen-2-yl)methylidene]benzene-1-sulfonohydrazide

• ChemBase ID: 298435
• Molecular Formular: C18H16N2O2S2
• Molecular Mass: 356.46184
• Monoisotopic Mass: 356.06531976
• SMILES: Cc1ccc(cc1)S(=O)(=O)N/N=C(/c1ccccc1)\c1cccs1
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N/N=C(\c1cccs1)/c1ccccc1
• InChI: InChI=1S/C18H16N2O2S2/c1-14-9-11-16(12-10-14)24(21,22)20-19-18(17-8-5-13-23-17)15-6-3-2-4-7-15/h2-13,20H,1H3
• InChIKey: RKPCHPKUHJRDOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N'-[phenyl(thiophen-2-yl)methylidene]benzene-1-sulfonohydrazide
• IUPAC Traditional name: 4-methyl-N'-[phenyl(thiophen-2-yl)methylidene]benzenesulfonohydrazide
• Synonyms: alpha-(2-Thienyl)benzaldehyde tosylhydrazone; p-Toluenesulfonic acid [alpha-(2-thienyl)benzylidene]hydrazide; alpha-(2-Thienyl)benzaldehyde p-toluenesulfonylhydrazone; α-(2-噻吩基)苯甲醛 对甲苯磺酰腙

Database IDs

• CAS Number: 105417-05-8
• MDL Number: MFCD17676371
• PubChem SID: 180683966
• PubChem CID: 9680715

CALCULATED PROPERTIES

• Acid pKa: 9.815085
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.8918276
• LogD (pH = 7.4): 4.9033194
• Log P: 4.891679
• Molar Refractivity: 97.2376 cm^3
• Polarizability: 37.75337 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%