Cas no 6623-83-2 (6-chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid)

6-chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid structure
6623-83-2 structure
Product Name:6-chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
CAS No:6623-83-2
MF:C7H7ClN2O2S
MW:218.660679101944
MDL:MFCD16657379
CID:521716
PubChem ID:244523
Update Time:2025-04-19

6-chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinecarboxylicacid, 6-chloro-5-methyl-2-(methylthio)-
    • 6-chloro-5-methyl-2-methylsulfanylpyrimidine-4-carboxylic acid
    • 6-chloro-5-methyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
    • AC1L6DVM
    • AC1Q3PWA
    • AR-1H1350
    • CTK2F8142
    • NSC55454
    • NSC-55454
    • MDL: MFCD16657379
    • Inchi: 1S/C7H7ClN2O2S/c1-3-4(6(11)12)9-7(13-2)10-5(3)8/h1-2H3,(H,11,12)
    • InChI Key: DCPVIQOHNZCUJY-UHFFFAOYSA-N
    • SMILES: ClC1=C(C)C(C(=O)O)=NC(=N1)SC

Computed Properties

  • Exact Mass: 217.99181
  • Monoisotopic Mass: 217.992
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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: 2.2
  • Topological Polar Surface Area: 88.4?2

Experimental Properties

  • Density: 1.51
  • Boiling Point: 389.9°C at 760 mmHg
  • Flash Point: 189.6°C
  • Refractive Index: 1.621
  • PSA: 63.08
  • LogP: 1.85850

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