27565-41-9

DL-Dithiothreitol(27565-41-9) MS

Product NameDL-Dithiothreitol

CAS 27565-41-9

Molecular FormulaC4H10O2S2

Molecular Weight154.25

InChIInChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/s3

InChIKey VHJLVAABSRFDPM-APQYWOSTNA-N

Smiles[C@@H](O)(CS)[C@H](O)CS |&1:0,4,r|

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DL-Dithiothreitol(27565-41-9) MS
Mass

MS-IW-5621          
dithiothreitol
C4H10O2S2           (Mass of molecular ion:    154)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       3.9
      18.0       4.0
      19.0       2.0
      27.0       5.8
      28.0       1.5
      29.0       4.4
      31.0       3.8
      34.0       1.8
      35.0       5.1
      39.0       2.1
      41.0       3.1
      42.0       4.1
      43.0      23.6
      44.0      66.2
      45.0      26.7
      46.0       6.3
      47.0      45.6
      48.0      11.4
      49.0       5.8
      54.0       3.2
      55.0       4.6
      57.0       8.7
      58.0       5.4
      59.0      95.5
      60.0      13.2
      61.0      35.4
      62.0       1.8
      63.0       4.4
      64.0       1.4
      69.0       1.0
      71.0       1.5
      72.0       1.2
      73.0      10.5
      74.0       2.3
      75.0       1.9
      76.0      20.3
      77.0     100.0
      78.0       6.1
      79.0       5.9
      84.0       1.0
      85.0      12.8
      86.0       8.7
      87.0       2.4
      88.0      19.5
      89.0      87.2
      90.0       5.0
      91.0       5.0
      92.0       4.8
      93.0       2.8
     101.0       1.4
     102.0      83.3
     103.0      54.5
     104.0       6.7
     105.0       2.8
     106.0       1.6
     107.0       5.2
     118.0       5.8
     119.0       4.2
     120.0      10.3
     121.0       1.0
     136.0       9.0
     154.0      12.0
     155.0       1.4
     156.0       1.2

90 MHz in CDCl3

DL-Dithiothreitol(27565-41-9) MS

¹H NMR	89.56 MHz
C₄ H₁₀ O₂ S₂	0.020 g : 0.5 ml CDCl₃
dithiothreitol

    Assign.     Shift(ppm)

      A             3.69
      B             3.32
      C             2.73
      D             1.604

     Hz     ppm     Int.

    336.81   3.761    109
    333.56   3.725     96
    331.94   3.707    180
    331.25   3.699    172
    330.19   3.687    102
    326.94   3.651    154
    325.81   3.638    100
    323.56   3.613     84
    297.69   3.324   1000
    251.56   2.809    237
    246.56   2.754    186
    244.81   2.734    194
    243.25   2.717    361
    237.69   2.654    225
    236.69   2.643    186
    151.63   1.694    294
    143.44   1.602    360
    142.75   1.594    279
    134.56   1.503    217

in CDCl3