1,3-dimethylimidazolidine-2-thione

• ChemBase ID: 798505
• Molecular Formular: C5H10N2S
• Molecular Mass: 130.2113
• Monoisotopic Mass: 130.05646933
• SMILES: N1(C(=S)N(CC1)C)C
• Canonical SMILES: CN1CCN(C1=S)C
• InChI: InChI=1S/C5H10N2S/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
• InChIKey: FYHIXFCITOCVKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethylimidazolidine-2-thione
• IUPAC Traditional name: 1,3-dimethylimidazolidine-2-thione
• Synonyms: 1,3-dimethylimidazolidine-2-thione

Database IDs

• CAS Number: 13461-16-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.24921504
• LogD (pH = 7.4): 0.24921504
• Log P: 0.24921504
• Molar Refractivity: 38.7513 cm^3
• Polarizability: 14.92216 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%