1,4-BENZENEDIMETHANETHIOL(105-09-9) MS

Product Name1,4-BENZENEDIMETHANETHIOL

CAS 105-09-9

Molecular FormulaC8H10S2

Molecular Weight170.29

InChIInChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2

InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N

SmilesC1(CS)=CC=C(CS)C=C1

Request For Quotation

Mass

MS-IW-4109          
p-phenylenebis(methanethiol)
C8H10S2             (Mass of molecular ion:    170)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      34.0       2.1
      39.0       3.2
      45.0      17.0
      47.0       2.0
      50.0       1.7
      51.0       5.1
      52.0       2.2
      59.0       2.3
      63.0       3.0
      65.0       3.5
      67.0       3.2
      68.0       6.1
      69.0       1.1
      76.0       1.3
      77.0       8.3
      78.0       8.2
      79.0       1.4
      89.0       3.3
      90.0       1.6
      91.0      25.7
      92.0       2.6
      93.0       3.9
      97.0       1.4
     102.0       2.2
     103.0      13.7
     104.0      62.4
     105.0       6.2
     121.0       2.3
     123.0       5.4
     134.0       2.2
     135.0       7.7
     136.0       2.9
     137.0     100.0
     138.0      10.0
     139.0       5.1
     170.0      39.4
     171.0       4.1
     172.0       3.8

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₁₀ S₂	0.032 g : 0.5 ml CDCl₃
p-phenylenebis(methanethiol)

    Parameter     ppm  Hz

      D(A)         7.263
     
      D(B)         3.710
      D(C)         1.745
       J(B,C)          7.57

     Hz     ppm     Int.

   2178.90   7.263   1000
   1116.81   3.723    495
   1109.27   3.698    508
    531.03   1.770    129
    523.48   1.745    246
    515.94   1.720    123

in CDCl3