Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>3179-31-5More Spectrum> 1H-1,2,4-Triazole-3-thiol(3179-31-5) MS

1H-1,2,4-Triazole-3-thiol(3179-31-5) MS

Molecular FormulaC2H3N3S

Molecular Weight101.13

InChIInChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)

InChIKey AFBBKYQYNPNMAT-UHFFFAOYSA-N

SmilesN1C=NC(=S)N1


  • Mass

    MS-NW-8043          
    1H-1,2,4-triazole-3-thiol
    C2H3N3S             (Mass of molecular ion:    101)
    

       Source Temperature: 200 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          12.0       1.0
          13.0       2.2
          14.0       1.3
          18.0       3.5
          26.0       1.0
          27.0       5.7
          28.0      28.1
          29.0       4.0
          32.0       7.7
          33.0       2.5
          34.0       1.1
          41.0       3.4
          42.0      43.4
          43.0      47.6
          44.0       8.3
          45.0      15.0
          46.0       6.0
          47.0       6.4
          50.0       3.3
          58.0       1.9
          59.0       9.6
          60.0      11.6
          70.0       2.7
          71.0       3.9
          72.0       1.0
          73.0       1.3
          74.0      22.3
          76.0       1.0
         101.0     100.0
         102.0       5.2
         103.0       4.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C2 H3 N3 S 0.040 g : 0.5 ml DMSO-d6
    1H-1,2,4-triazole-3-thiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 13.5 B *1 13.3 C 8.277

         Hz     ppm     Int.
    

       5408.77  13.534    186
       5318.59  13.309    114
       3308.47   8.279    945
       3307.40   8.276   1000
    

in DMSO-d6



KBr disc



nujol mull





1H-1,2,4-Triazole-3-thiol(3179-31-5) MS Atlas of Related Products

×