3-sulfanylpropanehydrazide

• ChemBase ID: 235692
• Molecular Formular: C3H8N2OS
• Molecular Mass: 120.17342
• Monoisotopic Mass: 120.03573389
• SMILES: C(=O)(CCS)NN
• Canonical SMILES: NNC(=O)CCS
• InChI: InChI=1S/C3H8N2OS/c4-5-3(6)1-2-7/h7H,1-2,4H2,(H,5,6)
• InChIKey: ODRSRVOISOPFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-sulfanylpropanehydrazide
• IUPAC Traditional name: 3-sulfanylpropanehydrazide
• Synonyms: 3-sulfanylpropanehydrazide

Database IDs

• MDL Number: MFCD18373778
• PubChem SID: 164291602
• PubChem CID: 193318

CALCULATED PROPERTIES

• Acid pKa: 10.121062
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -0.6581851
• LogD (pH = 7.4): -0.65642744
• Log P: -0.65562993
• Molar Refractivity: 31.3802 cm^3
• Polarizability: 11.977064 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.962

Product Information

• Purity: 95%