2,2,5,5-tetramethylimidazolidine-4-thione

• ChemBase ID: 109704
• Molecular Formular: C7H14N2S
• Molecular Mass: 158.26446
• Monoisotopic Mass: 158.08776946
• SMILES: CC1(C)NC(=S)C(C)(C)N1
• Canonical SMILES: S=C1NC(NC1(C)C)(C)C
• InChI: InChI=1S/C7H14N2S/c1-6(2)5(10)8-7(3,4)9-6/h9H,1-4H3,(H,8,10)
• InChIKey: BOXUTHGPSCJJCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5,5-tetramethylimidazolidine-4-thione
• IUPAC Traditional name: 2,2,5,5-tetramethylimidazolidine-4-thione
• Synonyms: 2,2,4,4-TETRAMETHYLIMIDAZOLIDINE-5-THIONE

Database IDs

• CAS Number: 2582-16-3
• PubChem SID: 162096318
• PubChem CID: 1397155

CALCULATED PROPERTIES

• Acid pKa: 10.608598
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -1.3096474
• LogD (pH = 7.4): 0.38563466
• Log P: 1.0094097
• Molar Refractivity: 47.399597 cm^3
• Polarizability: 19.0121 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212273

MP Biomedicals Rare Chemical collection