4,5-dimethoxyimidazolidine-2-thione

• ChemBase ID: 120495
• Molecular Formular: C5H10N2O2S
• Molecular Mass: 162.2101
• Monoisotopic Mass: 162.04629857
• SMILES: N1C(=S)NC(C1OC)OC
• Canonical SMILES: COC1NC(=S)NC1OC
• InChI: InChI=1S/C5H10N2O2S/c1-8-3-4(9-2)7-5(10)6-3/h3-4H,1-2H3,(H2,6,7,10)
• InChIKey: IWFSOAMKSAADIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethoxyimidazolidine-2-thione
• IUPAC Traditional name: 4,5-dimethoxyimidazolidine-2-thione
• Synonyms: 4,5-dimethoxyimidazolidine-2-thione

Database IDs

• PubChem SID: 162214848
• PubChem CID: 2771910

CALCULATED PROPERTIES

• Acid pKa: 10.668413
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3596411
• LogD (pH = 7.4): 0.35941014
• Log P: 0.35966805
• Molar Refractivity: 40.5201 cm^3
• Polarizability: 16.334284 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true