1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol(61607-68-9) ¹H NMR

Product Name1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

CAS 61607-68-9

Molecular FormulaC5H11N5S

Molecular Weight173.24

InChIInChI=1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)

InChIKey ODDAWJGQWOGBCX-UHFFFAOYSA-N

SmilesN1(CCN(C)C)C(=S)N=NN1

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Mass

MS-IW-1764          
1-(2-(dimethylamino)ethyl)-1H-tetrazole-5-thiol
C5H11N5S            (Mass of molecular ion:    173)

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

      15.0       1.5
      27.0       1.2
      28.0       2.8
      29.0       1.1
      30.0       2.8
      41.0       1.4
      42.0      10.7
      43.0       5.2
      44.0       3.8
      55.0       1.0
      56.0      10.1
      57.0       2.4
      58.0      89.0
      59.0       3.6
      69.0       1.5
      70.0       3.5
      71.0     100.0
      72.0       7.1
     129.0       1.2
     173.0       1.8

400 MHz in D2O at 60C

¹H NMR	399.65 MHz
C₅ H₁₁ N₅ S	0.038 g : 0.5 ml D₂O at 60 C
1-(2-(dimethylamino)ethyl)-1H-tetrazole-5-thiol

    Assign.     Shift(ppm)

      A             4.729
      B             3.745
      C             3.003
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1896.00   4.745     67
   1890.14   4.730     86
   1884.28   4.715     71
   1502.81   3.761     82
   1496.83   3.746     96
   1491.09   3.731     78
   1200.32   3.004   1000

in D2O