Cas no 33798-77-5 (ethyl 2-(4-methylbenzenesulfonyl)oxypropanoate)

ethyl 2-(4-methylbenzenesulfonyl)oxypropanoate structure
33798-77-5 structure
Product Name:ethyl 2-(4-methylbenzenesulfonyl)oxypropanoate
CAS No:33798-77-5
MF:C12H16O5S
MW:272.317442893982
CID:294460
PubChem ID:562846
Update Time:2025-04-19

ethyl 2-(4-methylbenzenesulfonyl)oxypropanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, ethyl ester
    • ethyl (S)-α-(4-methyl-phenylsulphonyloxy)-propionate
    • Ethyl 2-tosyloxypropionate
    • Ethyl2-p-tolylsulfonyloxypropionate
    • Lacticacid, ethyl ester, p-toluenesulfonate (6CI,8CI)
    • ethyl 2-(4-methylbenzenesulfonyl)oxypropanoate
    • SB47092
    • EN300-12645621
    • SCHEMBL2081536
    • Ethyl 2-([(4-methylphenyl)sulfonyl]oxy)propanoate #
    • ETHYL 2-[(4-METHYLBENZENESULFONYL)OXY]PROPANOATE
    • 2-(Toluene-4-sulfonyloxy)propionic acid, ethyl ester
    • Ethyl 2-(tosyloxy)propanoate
    • ethyl alpha-tosyloxypropionate
    • 33798-77-5
    • Inchi: 1S/C12H16O5S/c1-4-16-12(13)10(3)17-18(14,15)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
    • InChI Key: SNLMUZGICZJWKN-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC(C(=O)OCC)C

Computed Properties

  • Exact Mass: 272.07188
  • Monoisotopic Mass: 272.07184478g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 78?2

Experimental Properties

  • PSA: 69.67

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