2-(pyridin-2-ylsulfanyl)acetohydrazide

• ChemBase ID: 33253
• Molecular Formular: C7H9N3OS
• Molecular Mass: 183.23086
• Monoisotopic Mass: 183.04663292
• SMILES: C(=O)(NN)CSc1ncccc1
• Canonical SMILES: NNC(=O)CSc1ccccn1
• InChI: InChI=1S/C7H9N3OS/c8-10-6(11)5-12-7-3-1-2-4-9-7/h1-4H,5,8H2,(H,10,11)
• InChIKey: ZZUOHZYYLVJLEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-ylsulfanyl)acetohydrazide
• IUPAC Traditional name: 2-(pyridin-2-ylsulfanyl)acetohydrazide
• Synonyms: 2-(Pyridin-2-ylthio)acetohydrazide

Database IDs

• MDL Number: MFCD01422111
• PubChem SID: 160996560
• PubChem CID: 713823

CALCULATED PROPERTIES

• Acid pKa: 11.997423
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.0362026
• LogD (pH = 7.4): 0.041402277
• Log P: 0.041479167
• Molar Refractivity: 49.512 cm^3
• Polarizability: 18.820238 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false