2-DIMETHYLAMINOETHANETHIOL HYDROCHLORIDE(13242-44-9) IR2

Product Name2-DIMETHYLAMINOETHANETHIOL HYDROCHLORIDE

CAS 13242-44-9

Molecular FormulaC4H12ClNS

Molecular Weight141.66

InChIInChI=1S/C4H11NS.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H

InChIKey NRVFDGZJTPCULU-UHFFFAOYSA-N

SmilesC(CS)N(C)C.Cl

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2-DIMETHYLAMINOETHANETHIOL HYDROCHLORIDE(13242-44-9) IR2
Mass

MS-NW-2985          
2-(dimethylamino)-1-ethanethiol hydrochloride
C4H11NS HCl         (Mass of molecular ion:    105)

   Source Temperature: 210 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       3.7
      18.0       1.4
      27.0       3.2
      28.0       3.5
      29.0       2.0
      30.0       7.7
      35.0       2.2
      36.0      19.9
      38.0       6.4
      41.0       1.2
      42.0      11.5
      43.0       3.8
      44.0      12.3
      45.0       3.3
      56.0       3.3
      57.0       2.9
      58.0     100.0
      59.0       3.8
      60.0       3.5
      61.0       2.3
      70.0       1.9
      71.0       2.3
      72.0       7.6
     105.0       3.7

400 MHz in D2O

2-DIMETHYLAMINOETHANETHIOL HYDROCHLORIDE(13242-44-9) IR2

¹H NMR	399.65 MHz
C₄ H₁₁ N S	0.050 g : 0.5 ml D₂O
2-(dimethylamino)-1-ethanethiol hydrochloride

    Assign.     Shift(ppm)

      B             3.557
      C             3.114
      D             2.940
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   1428.96   3.576     79
   1422.12   3.559    132
   1414.79   3.541     93
   1251.95   3.133     93
   1244.75   3.115    138
   1237.79   3.098     79
   1175.29   2.941   1000

KBr disc

nujol mull

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