2-sulfanylacetohydrazide

• ChemBase ID: 245265
• Molecular Formular: C2H6N2OS
• Molecular Mass: 106.14684
• Monoisotopic Mass: 106.02008382
• SMILES: C(=O)(NN)CS
• Canonical SMILES: NNC(=O)CS
• InChI: InChI=1S/C2H6N2OS/c3-4-2(5)1-6/h6H,1,3H2,(H,4,5)
• InChIKey: VLERMNIUDRUNQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-sulfanylacetohydrazide
• IUPAC Traditional name: 2-sulfanylacetohydrazide
• Synonyms: 2-sulfanylacetohydrazide

Database IDs

• MDL Number: MFCD18263132
• PubChem SID: 164301175
• PubChem CID: 179349

CALCULATED PROPERTIES

• Acid pKa: 9.438547
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.1026832
• LogD (pH = 7.4): -1.1038995
• Log P: -1.1001986
• Molar Refractivity: 26.7792 cm^3
• Polarizability: 10.153663 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.327

Product Information

• Purity: 95%