sodium hydrate ethyl sulfate

• ChemBase ID: 111285
• Molecular Formular: C2H7NaO5S
• Molecular Mass: 166.12875
• Monoisotopic Mass: 165.99118861
• SMILES: O.[Na+].CCOS(=O)(=O)[O-]
• Canonical SMILES: CCOS(=O)(=O)[O-].O.[Na+]
• InChI: InChI=1S/C2H6O4S.Na.H2O/c1-2-6-7(3,4)5;;/h2H2,1H3,(H,3,4,5);;1H2/q;+1;/p-1
• InChIKey: PYUOPTRTUJQSKV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate ethyl sulfate
• IUPAC Traditional name: potassium hydrate ethyl sulfate
• Synonyms: SODIUM ETHYLSULFATE

Database IDs

• PubChem SID: 162106535
• PubChem CID: 25022159

CALCULATED PROPERTIES

• Acid pKa: -2.082154
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4831793
• LogD (pH = 7.4): -2.4831822
• Log P: -0.106783345
• Molar Refractivity: 21.88 cm^3
• Polarizability: 9.878701 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218507

MP Biomedicals Rare Chemical collection