2-amino-2-methylpropanethioamide

• ChemBase ID: 278763
• Molecular Formular: C4H10N2S
• Molecular Mass: 118.2006
• Monoisotopic Mass: 118.05646933
• SMILES: C(=S)(C(N)(C)C)N
• Canonical SMILES: NC(=S)C(N)(C)C
• InChI: InChI=1S/C4H10N2S/c1-4(2,6)3(5)7/h6H2,1-2H3,(H2,5,7)
• InChIKey: OKWBDIKRPSGJLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpropanethioamide
• IUPAC Traditional name: 2-amino-2-methylpropanethioamide
• Synonyms: 2-amino-2-methylpropanethioamide

Database IDs

• MDL Number: MFCD19204298
• PubChem SID: 164334673
• PubChem CID: 54594980

CALCULATED PROPERTIES

• Acid pKa: 11.616906
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -3.0527015
• LogD (pH = 7.4): -2.3777883
• Log P: 0.011629262
• Molar Refractivity: 35.0237 cm^3
• Polarizability: 14.211388 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.669

Product Information

• Purity: 95%