Cas no 382610-58-4 (5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid)

5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid structure
382610-58-4 structure
Product Name:5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
CAS No:382610-58-4
MF:C7H7ClN2O2S
MW:218.660679101944
MDL:MFCD00507248
CID:1068769
PubChem ID:1959248
Update Time:2025-04-20

5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
    • 5-chloro-2-(ethylthio)-4-Pyrimidinecarboxylic acid
    • 382610-58-4
    • DA-37601
    • MFCD00507248
    • AKOS000265570
    • ALBB-007454
    • STK504548
    • CS-0314060
    • 5-chloro-2-ethylsulfanylpyrimidine-4-carboxylic acid
    • SB58480
    • LS-02790
    • 5-chloro-2-(ethylthio)pyrimidine-4-carboxylicacid
    • SCHEMBL13983041
    • 5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxylic acid
    • MDL: MFCD00507248
    • Inchi: 1S/C7H7ClN2O2S/c1-2-13-7-9-3-4(8)5(10-7)6(11)12/h3H,2H2,1H3,(H,11,12)
    • InChI Key: QVLLQQCIXDDUBY-UHFFFAOYSA-N
    • SMILES: ClC1C=NC(=NC=1C(=O)O)SCC

Computed Properties

  • Exact Mass: 217.9916763g/mol
  • Monoisotopic Mass: 217.9916763g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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: 1.9
  • Topological Polar Surface Area: 88.4?2

5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid Pricemore >>

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