96-53-7

噻唑烷-2-硫酮(96-53-7)紅外圖譜(IR2)

產(chǎn)品名稱:噻唑烷-2-硫酮

CAS:96-53-7

分子式:C3H5NS2

分子量: 119.21

InChI:InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)

InChIKey: WGJCBBASTRWVJL-UHFFFAOYSA-N

Smiles:S1CCNC1=S

Mass

MS-NW-4986          
4,5-dihydro-2-thiazolethiol
C3H5NS2             (Mass of molecular ion:    119)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       5.8
      26.0       2.5
      27.0      10.7
      28.0      13.9
      29.0       1.1
      30.0       1.1
      32.0       4.1
      33.0       1.0
      34.0       1.2
      35.0       2.8
      40.0       1.0
      41.0       2.3
      42.0       6.5
      43.0       1.3
      44.0       2.2
      45.0      25.8
      46.0       5.2
      47.0      12.2
      57.0       1.2
      58.0       5.5
      59.0      30.0
      59.5       1.1
      60.0      28.7
      61.0      21.3
      62.0       1.7
      64.0       8.2
      72.0      12.6
      73.0       9.3
      74.0       1.1
      76.0       3.7
      77.0       2.1
      90.0       1.6
      91.0       1.6
     119.0     100.0
     120.0       6.2
     121.0       8.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₅ N S₂	0.041 g : 0.5 ml CDCl₃
4,5-dihydro-2-thiazolethiol

    Assign.     Shift(ppm)

      A             8.3
      B             4.04
      C             3.595

     Hz     ppm     Int.

    739.69   8.260     71
    371.25   4.146    254
    369.94   4.131    275
    367.13   4.100     99
    362.94   4.053    739
    358.81   4.007    145
    355.38   3.969    697
    350.69   3.916     77
    349.81   3.906     64
    349.25   3.900     59
    348.56   3.892     55
    329.06   3.675    740
    328.19   3.665    770
    325.44   3.634    124
    325.13   3.631    124
    322.31   3.599    752
    321.06   3.585   1000
    319.94   3.573    520
    316.13   3.530    121
    314.06   3.507    427
    312.44   3.489    377
    309.81   3.460     71
    308.81   3.449     57

in CDCl3