Cas no 828252-44-4 ((2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester)

(2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester structure
828252-44-4 structure
Product Name:(2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester
CAS No:828252-44-4
MF:C10H13ClN2O2S
MW:260.740420103073
CID:2359453
PubChem ID:58589709
Update Time:2025-04-21

(2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • (2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester
    • 828252-44-4
    • DB-200114
    • SCHEMBL5740366
    • Inchi: 1S/C10H13ClN2O2S/c1-3-15-8(14)5-7-6-12-10(16-4-2)13-9(7)11/h6H,3-5H2,1-2H3
    • InChI Key: LZAGPOGJDNGORO-UHFFFAOYSA-N
    • SMILES: ClC1C(=CN=C(N=1)SCC)CC(=O)OCC

Computed Properties

  • Exact Mass: 260.0386265Da
  • Monoisotopic Mass: 260.0386265Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 77.4?2
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