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Back ChemicalBook Home>CAS DataBase List>1004-39-3More Spectrum> 4,6-DIAMINO-2-MERCAPTOPYRIMIDINE(1004-39-3) IR2

4,6-DIAMINO-2-MERCAPTOPYRIMIDINE(1004-39-3) IR2

Molecular FormulaC4H6N4S

Molecular Weight142.18

InChIInChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)

InChIKey QCAWOHUJKPKOMD-UHFFFAOYSA-N

SmilesC1(=S)NC(N)=CC(N)=N1


  • Mass

    MS-NW-7180          
    4,6-diamino-2-pyrimidinethiol
    C4H6N4S             (Mass of molecular ion:    142)
    

       Source Temperature: 190 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          15.0       1.4
          17.0       1.2
          18.0       8.4
          27.0       1.2
          28.0      12.6
          30.0       1.3
          32.0       1.3
          36.0       1.8
          38.0       1.6
          39.0       2.6
          40.0       8.9
          41.0      10.7
          42.0       7.2
          43.0      20.4
          44.0       1.1
          45.0       3.3
          53.0       2.0
          55.0      14.1
          56.0       1.2
          58.0       1.0
          59.0       1.9
          60.0       5.5
          65.0       1.2
          66.0       5.9
          67.0      36.0
          68.0       5.8
          71.0       1.2
          72.0       1.4
          82.0       4.9
          83.0       5.7
          84.0      46.1
          85.0       2.1
          92.0       1.0
         114.0       2.0
         142.0     100.0
         143.0       6.7
         144.0       4.8
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C4 H6 N4 S 0.035 g : 0.5 ml DMSO-d6
    4,6-diamino-2-pyrimidinethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.78 B 5.068 C 1.74

         Hz     ppm     Int.
    

       2712.04   6.787    979
       2026.49   5.071   1000
        696.17   1.742    242
    

in DMSO-d6



KBr disc



nujol mull





4,6-DIAMINO-2-MERCAPTOPYRIMIDINE(1004-39-3) IR2 Atlas of Related Products

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