2-[(2-fluorophenyl)sulfanyl]acetohydrazide

• ChemBase ID: 233140
• Molecular Formular: C8H9FN2OS
• Molecular Mass: 200.2332632
• Monoisotopic Mass: 200.04196214
• SMILES: C(=O)(NN)CSc1c(F)cccc1
• Canonical SMILES: NNC(=O)CSc1ccccc1F
• InChI: InChI=1S/C8H9FN2OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: RONLEONBAODMIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-fluorophenyl)sulfanyl]acetohydrazide
• IUPAC Traditional name: 2-[(2-fluorophenyl)sulfanyl]acetohydrazide
• Synonyms: 2-[(2-fluorophenyl)thio]acetohydrazide

Database IDs

• MDL Number: MFCD07324743
• PubChem SID: 164289050
• PubChem CID: 4388854

CALCULATED PROPERTIES

• Acid pKa: 11.614174
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.80496234
• LogD (pH = 7.4): 0.8073407
• Log P: 0.807396
• Molar Refractivity: 51.5718 cm^3
• Polarizability: 19.399302 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 0.843

Product Information

• Purity: 95%