4420-74-0

Trimethoxysilylpropanethiol(4420-74-0) MS

Product NameTrimethoxysilylpropanethiol

CAS 4420-74-0

Molecular FormulaC6H16O3SSi

Molecular Weight196.34

InChIInChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3

InChIKey UUEWCQRISZBELL-UHFFFAOYSA-N

SmilesC(S)CC[Si](OC)(OC)OC

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Trimethoxysilylpropanethiol(4420-74-0) MS
Mass

MS-NW-7590          
(3-mercaptopropyl)trimethoxysilane
C6H16O3SSi          (Mass of molecular ion:    196)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.0
      28.0       1.1
      29.0       1.2
      31.0       1.9
      32.0       1.0
      39.0       2.0
      41.0       2.8
      42.0       1.0
      45.0       4.2
      47.0       3.6
      59.0      17.1
      60.0       3.9
      61.0      11.5
      63.0       1.1
      74.0       3.5
      75.0       1.3
      76.0       1.2
      77.0       3.9
      87.0       1.0
      90.0       7.6
      91.0      56.8
      92.0       5.4
      93.0       6.9
      99.0       1.1
     101.0       1.2
     103.0       1.0
     104.0       4.2
     105.0       1.9
     106.0       6.1
     107.0       1.7
     117.0       2.8
     120.0       1.2
     121.0     100.0
     122.0       9.8
     123.0      53.8
     124.0       4.6
     125.0       5.0
     131.0       3.4
     132.0       2.6
     133.0      13.5
     134.0       1.9
     135.0       1.9
     136.0      21.1
     137.0       4.7
     138.0       2.2
     163.0       1.6
     164.0      86.3
     165.0      11.1
     166.0       8.1
     167.0       1.2
     239.0       1.5

90 MHz in CDCl3

Trimethoxysilylpropanethiol(4420-74-0) MS

¹H NMR	89.56 MHz
C₆ H₁₆ O₃ S Si	0.05 ml : 0.5 ml CDCl₃
(3-mercaptopropyl)trimethoxysilane

    Assign.     Shift(ppm)

      A             3.569
      B             2.537
      C             1.72
      D             1.356
      E             0.76

     Hz     ppm     Int.

    321.44   3.590    101
    319.69   3.570   1000
    231.44   2.585     33
    224.81   2.511     44
    161.56   1.804     22
    154.75   1.728     23
    153.50   1.714     21
    128.63   1.437     30
    120.75   1.349     38
    112.75   1.259     22
     75.19   0.840     43
     66.88   0.747     29
     66.19   0.740     28
     59.00   0.659     25

in CDCl3