2-methoxyethyl 2-sulfanylacetate

• ChemBase ID: 110043
• Molecular Formular: C5H10O3S
• Molecular Mass: 150.1961
• Monoisotopic Mass: 150.03506518
• SMILES: COCCOC(=O)CS
• Canonical SMILES: COCCOC(=O)CS
• InChI: InChI=1S/C5H10O3S/c1-7-2-3-8-5(6)4-9/h9H,2-4H2,1H3
• InChIKey: WXYOMNAKWIRZST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 2-sulfanylacetate
• IUPAC Traditional name: 2-methoxyethyl 2-sulfanylacetate
• Synonyms: METHOXYETHYL THIOGLYCOLATE

Database IDs

• PubChem SID: 162106366
• PubChem CID: 542261

CALCULATED PROPERTIES

• Acid pKa: 9.328006
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.10207837
• LogD (pH = 7.4): 0.097410925
• Log P: 0.10213825
• Molar Refractivity: 36.2855 cm^3
• Polarizability: 14.519642 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213509

MP Biomedicals Rare Chemical collection