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2-巯基-4-甲基嘧啶盐酸盐

产品名称 2-巯基-4-甲基嘧啶盐酸盐

CAS号6959-66-6

分子式C5H7ClN2S

分子量162.64

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  • Mass

    MS-NW-6697          
    4-methyl-2-pyrimidinethiol hydrochloride
    C5H6N2S HCl         (Mass of molecular ion:    126)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       3.7
          18.0       3.5
          26.0       3.3
          27.0       3.5
          28.0      10.3
          32.0       2.3
          33.0       1.7
          35.0       5.9
          36.0      44.4
          37.0       3.5
          38.0      14.1
          39.0      23.5
          40.0      10.2
          41.0      14.8
          42.0       9.9
          43.0       1.1
          44.0       2.0
          45.0       3.7
          50.0       1.3
          51.0       3.0
          52.0       6.6
          53.0       3.7
          57.0       4.2
          58.0       5.2
          59.0       8.8
          60.0       9.5
          63.0       2.1
          64.0       2.0
          65.0       1.3
          66.0      10.1
          67.0       5.9
          68.0      59.3
          69.0       3.2
          70.0       2.8
          71.0       1.0
          72.0       3.4
          81.0       1.0
          82.0       6.8
          83.0       2.0
          84.0       8.0
          85.0       3.1
          93.0       3.3
          98.0       2.2
          99.0       1.5
         111.0      26.8
         112.0       1.6
         113.0       1.3
         125.0       4.5
         126.0     100.0
         127.0       7.6
         128.0       5.1
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C5 H6 N2 S 0.041 g : 0.5 ml DMSO-d6
    4-methyl-2-pyrimidinethiol hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.05 B 8.534 C 7.230 D 2.426

         Hz     ppm     Int.
    

        810.13   9.046    430
        766.92   8.564    293
        761.94   8.508    325
        650.32   7.262    220
        649.80   7.256    211
        645.26   7.205    191
        644.75   7.200    198
        217.38   2.428   1000
        217.02   2.424    938
    

in DMSO-d6



KBr disc



nujol mull