BIS(4-HYDROXY-3-METHYLPHENYL) SULFIDE(24197-34-0) IR1

Product NameBIS(4-HYDROXY-3-METHYLPHENYL) SULFIDE

CAS 24197-34-0

Molecular FormulaC14H14O2S

Molecular Weight246.32

InChIInChI=1S/C14H14O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3

InChIKey IBNFPRMKLZDANU-UHFFFAOYSA-N

SmilesS(C1=CC=C(O)C(C)=C1)C1=CC=C(O)C(C)=C1

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Mass

MS-IW-4185          
4,4'-thiobis(o-cresol)
C14H14O2S           (Mass of molecular ion:    246)

   Source Temperature: 150 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       2.4
      28.0       3.3
      32.0       1.1
      39.0       1.8
      43.0       1.2
      45.0       1.4
      51.0       2.1
      52.0       1.1
      53.0       1.5
      55.0       1.3
      67.0       1.0
      77.0       5.1
      78.0       1.6
      79.0       1.3
      95.0       1.1
      99.0       1.4
     100.0       1.4
     106.5       1.6
     107.0       2.6
     108.0       3.2
     113.0       1.6
     114.0       1.2
     114.5       1.4
     115.0       1.6
     115.5       1.8
     121.0       1.1
     122.0       1.6
     123.0       3.7
     139.0       2.6
     140.0       1.2
     169.0       1.0
     170.0       1.1
     177.0       1.3
     184.0       1.1
     185.0       3.5
     187.0       1.6
     197.0       1.8
     198.0       2.2
     201.0       1.9
     202.0       1.4
     203.0       2.3
     212.0       1.4
     213.0      15.7
     214.0      15.4
     215.0       2.7
     216.0       5.8
     217.0       2.6
     227.0       1.3
     229.0       5.3
     230.0       5.9
     231.0      10.4
     232.0       1.7
     245.0       9.8
     246.0     100.0
     247.0      16.6
     248.0       6.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₄ O₂ S	0.035 g : 0.5 ml DMSO-d₆
4,4'-thiobis(o-cresol)

    Assign.     Shift(ppm)

      A             9.53
      B             7.07
      C             6.983
      D             6.760
      E             2.078

     Hz     ppm     Int.

   3808.29   9.530     69
   2825.62   7.071    189
   2824.10   7.067    210
   2823.33   7.065    206
   2796.33   6.997    111
   2794.34   6.992     97
   2788.09   6.977    131
   2786.10   6.972    123
   2705.54   6.770    279
   2697.30   6.750    239
    830.54   2.079   1000

in DMSO-d6