N'-[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]benzenesulfonohydrazide

• ChemBase ID: 61604
• Molecular Formular: C17H18N2O3S
• Molecular Mass: 330.40142
• Monoisotopic Mass: 330.10381345
• SMILES: c1(ccccc1)S(=O)(=O)N/N=C/1\CCCc2cc(ccc12)OC
• Canonical SMILES: COc1ccc2c(c1)CCC/C/2=N\NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C17H18N2O3S/c1-22-14-10-11-16-13(12-14)6-5-9-17(16)18-19-23(20,21)15-7-3-2-4-8-15/h2-4,7-8,10-12,19H,5-6,9H2,1H3/b18-17+
• InChIKey: FUCGJFNMAHUWNL-ISLYRVAYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]benzenesulfonohydrazide
• IUPAC Traditional name: N'-[(1E)-6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene]benzenesulfonohydrazide
• Synonyms: (E)-N'-(6-Methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)benzenesulfonohydrazide

Database IDs

• CAS Number: 66227-85-8
• MDL Number: MFCD11501982
• PubChem SID: 162027345
• PubChem CID: 12632593

CALCULATED PROPERTIES

• Acid pKa: 9.601
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.156473
• LogD (pH = 7.4): 3.175083
• Log P: 3.1562304
• Molar Refractivity: 89.4629 cm^3
• Polarizability: 34.98795 Å^3
• Polar Surface Area: 67.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >98%