4,4'-Thiodibenzenethiol(19362-77-7) ¹H NMR

Product Name4,4'-Thiodibenzenethiol

CAS 19362-77-7

Molecular FormulaC12H10S3

Molecular Weight250.4

InChIInChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey JLLMOYPIVVKFHY-UHFFFAOYSA-N

SmilesS(C1=CC=C(S)C=C1)C1=CC=C(S)C=C1

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Mass

MS-IW-4932          
4,4'-thiodibenzenethiol
C12H10S3            (Mass of molecular ion:    250)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       5.3
      32.0       1.9
      39.0       1.9
      45.0       2.6
      63.0       2.6
      65.0       4.1
      69.0       5.4
      70.0       1.0
      71.0       1.3
      77.0       1.6
      82.0       2.0
      92.0       2.3
      95.0       1.9
      96.0       2.2
      97.0       4.1
     108.0       9.3
     108.5       3.4
     109.0       4.9
     110.0       5.4
     125.0       3.2
     134.0       1.0
     139.0       1.7
     140.0       5.3
     141.0      19.5
     142.0       2.2
     143.0       1.9
     152.0       1.5
     171.0       4.5
     172.0       1.9
     173.0       1.1
     183.0       1.3
     184.0      19.0
     185.0       5.6
     186.0       5.2
     205.0       1.2
     215.0       2.2
     216.0       5.6
     217.0      16.2
     218.0       5.0
     219.0       2.0
     249.0      14.6
     250.0     100.0
     251.0      17.2
     252.0      14.8
     253.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ S₃	0.038 g : 0.5 ml CDCl₃
4,4'-thiodibenzenethiol

    Assign.     Shift(ppm)

      A             7.18
      B             3.46

     Hz     ppm     Int.

   2878.54   7.203     34
   2877.32   7.200     29
   2875.00   7.194     34
   2872.68   7.188     58
   2869.38   7.180   1000
   2868.90   7.179    973
   2865.48   7.170     44
   2865.23   7.170     44
   2863.16   7.165     34
   2860.72   7.159     33
   2859.74   7.156     38
   1380.74   3.455    531

in CDCl3