2-(methylsulfanyl)acetohydrazide

• ChemBase ID: 244369
• Molecular Formular: C3H8N2OS
• Molecular Mass: 120.17342
• Monoisotopic Mass: 120.03573389
• SMILES: C(=O)(NN)CSC
• Canonical SMILES: CSCC(=O)NN
• InChI: InChI=1S/C3H8N2OS/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
• InChIKey: MUTXMAOCENBWSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)acetohydrazide
• IUPAC Traditional name: 2-(methylsulfanyl)acetohydrazide
• Synonyms: 2-(methylsulfanyl)acetohydrazide

Database IDs

• MDL Number: MFCD18262656
• PubChem SID: 164300279
• PubChem CID: 12674107

CALCULATED PROPERTIES

• Acid pKa: 12.903868
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7156253
• LogD (pH = 7.4): -0.7132215
• Log P: -0.71318936
• Molar Refractivity: 31.4302 cm^3
• Polarizability: 11.983984 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.952

Product Information

• Purity: 95%