N-amino-2,2-dimethylpropanethioamide

• ChemBase ID: 79574
• Molecular Formular: C5H12N2S
• Molecular Mass: 132.22718
• Monoisotopic Mass: 132.07211939
• SMILES: S=C(C(C)(C)C)NN
• Canonical SMILES: NNC(=S)C(C)(C)C
• InChI: InChI=1S/C5H12N2S/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
• InChIKey: GJDKDYJNYVBZRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-amino-2,2-dimethylpropanethioamide
• IUPAC Traditional name: N-amino-2,2-dimethylpropanethioamide
• Synonyms: 2,2-Dimethylpropanethiohydrazide

Database IDs

• MDL Number: MFCD00100551
• PubChem SID: 162044337
• PubChem CID: 2775228

CALCULATED PROPERTIES

• Acid pKa: 12.648023
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.3488164
• LogD (pH = 7.4): 1.3624629
• Log P: 1.362642
• Molar Refractivity: 40.6433 cm^3
• Polarizability: 15.955548 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true