5-({[(2,5-dioxoimidazolidin-4-yl)methyl]disulfanyl}methyl)imidazolidine-2,4-dione

• ChemBase ID: 81539
• Molecular Formular: C8H10N4O4S2
• Molecular Mass: 290.3194
• Monoisotopic Mass: 290.01434682
• SMILES: N1C(=O)NC(C1=O)CSSCC1C(=O)NC(=O)N1
• Canonical SMILES: O=C1NC(=O)NC1CSSCC1NC(=O)NC1=O
• InChI: InChI=1S/C8H10N4O4S2/c13-5-3(9-7(15)11-5)1-17-18-2-4-6(14)12-8(16)10-4/h3-4H,1-2H2,(H2,9,11,13,15)(H2,10,12,14,16)
• InChIKey: UIYAHRZHPCKKEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({[(2,5-dioxoimidazolidin-4-yl)methyl]disulfanyl}methyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-({[(2,5-dioxoimidazolidin-4-yl)methyl]disulfanyl}methyl)imidazolidine-2,4-dione
• Synonyms: 5-({[(2,5-dioxoimidazolidin-4-yl)methyl]dithio}methyl)imidazolidine-2,4-dione; 5-({[(2,5-dioxo-4-imidazolidinyl)methyl]dithio}methyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00210845
• PubChem SID: 162068658
• PubChem CID: 225089

CALCULATED PROPERTIES

• Acid pKa: 9.317026
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.9784395
• LogD (pH = 7.4): -1.9835557
• Log P: -1.978374
• Molar Refractivity: 64.9572 cm^3
• Polarizability: 25.298225 Å^3
• Polar Surface Area: 116.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.105

Product Information

• Purity: 95%