3-(methanesulfonylsulfanyl)-N-[2-(2-methoxyethoxy)ethyl]propanamide

• ChemBase ID: 173142
• Molecular Formular: C9H19NO5S2
• Molecular Mass: 285.38086
• Monoisotopic Mass: 285.07046471
• SMILES: C(COCCNC(=O)CCSS(=O)(=O)C)OC
• Canonical SMILES: COCCOCCNC(=O)CCSS(=O)(=O)C
• InChI: InChI=1S/C9H19NO5S2/c1-14-6-7-15-5-4-10-9(11)3-8-16-17(2,12)13/h3-8H2,1-2H3,(H,10,11)
• InChIKey: PNNYLESRYVKAAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methanesulfonylsulfanyl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
• IUPAC Traditional name: 3-(methanesulfonylsulfanyl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
• Synonyms: MTS-PEG5000; Methoxypoly(ethyleneglycol)5000 Amidopropionyl Methanethiosulfonate

Database IDs

• PubChem SID: 164229052
• PubChem CID: 71750141

CALCULATED PROPERTIES

• Acid pKa: 15.023241
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0496904
• LogD (pH = 7.4): -1.0496902
• Log P: -1.0496902
• Molar Refractivity: 67.1026 cm^3
• Polarizability: 27.344204 Å^3
• Polar Surface Area: 81.7 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Water
• Apperance: Off-White Waxy Solid
• Melting Point: 52-54°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Moisture Sensitive, Desiccate and Store at -20°C.

DETAILS

Toronto Research Chemicals - M266501

Methoxypoly(ethyleneglycol)5000 Amidopropionyl Methanethiosulfonate is a thiol reactive polymer that may be used for solubilization of proteins in aqueous solution.Methoxypoly(ethyleneglycol)5000 Amidopropionyl Methanethiosulfonate is a replacement for pr