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91114-48-6,MFCD11646668
Catalog No.:AA01A6X2

91114-48-6 | 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetic acid

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5g
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$715.00   $500.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01A6X2
Chemical Name:
2-[(2-methoxy-2-oxoethyl)sulfanyl]acetic acid
CAS Number:
91114-48-6
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
MDL Number:
MFCD11646668
SMILES:
COC(=O)CSCC(=O)O
Properties
Computed Properties
 
Complexity:
134  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
0.4  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1961,vol.26,p.4103-4104

[1]JournalofOrganicChemistry,1961,vol.26,p.4103-4104

[2]GazzettaChimicaItaliana,1987,vol.117,p.529-532

[1]Arzneimittel-Forschung/DrugResearch,1977,vol.27,p.343-352

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1986,vol.25,p.880-882

[1]Patent:US2009/163736,2009,A1.Locationinpatent:Page/Pagecolumn2

Literature
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SDS
Tags:91114-48-6 Molecular Formula|91114-48-6 MDL|91114-48-6 SMILES|91114-48-6 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetic acid