2-[(2-hydroxyphenyl)sulfanyl]acetohydrazide

• ChemBase ID: 244708
• Molecular Formular: C8H10N2O2S
• Molecular Mass: 198.2422
• Monoisotopic Mass: 198.04629857
• SMILES: C(=O)(NN)CSc1c(O)cccc1
• Canonical SMILES: NNC(=O)CSc1ccccc1O
• InChI: InChI=1S/C8H10N2O2S/c9-10-8(12)5-13-7-4-2-1-3-6(7)11/h1-4,11H,5,9H2,(H,10,12)
• InChIKey: XFSXRHPYSXXMDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18373826
• PubChem SID: 164300618
• PubChem CID: 63591353

CALCULATED PROPERTIES

• Acid pKa: 9.159837
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.3586018
• LogD (pH = 7.4): 0.35366186
• Log P: 0.36112875
• Molar Refractivity: 53.3363 cm^3
• Polarizability: 20.315205 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): -0.023

Product Information

• Purity: 95%