2-(2,2-dimethylhydrazin-1-yl)-N-methylethanethioamide

• ChemBase ID: 85444
• Molecular Formular: C5H13N3S
• Molecular Mass: 147.24182
• Monoisotopic Mass: 147.08301843
• SMILES: N(CC(=S)NC)N(C)C
• Canonical SMILES: CNC(=S)CNN(C)C
• InChI: InChI=1S/C5H13N3S/c1-6-5(9)4-7-8(2)3/h7H,4H2,1-3H3,(H,6,9)
• InChIKey: ZPNDWXKRZGSJPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-dimethylhydrazin-1-yl)-N-methylethanethioamide
• IUPAC Traditional name: 2-(2,2-dimethylhydrazin-1-yl)-N-methylethanethioamide
• Synonyms: N1-methyl-2-(2,2-dimethylhydrazino)ethanethioamide

Database IDs

• MDL Number: MFCD00175349
• PubChem SID: 162072560
• PubChem CID: 2795375

CALCULATED PROPERTIES

• Acid pKa: 11.448076
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6257087
• LogD (pH = 7.4): -0.89005136
• Log P: -0.8597578
• Molar Refractivity: 54.2994 cm^3
• Polarizability: 17.372726 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true