1071-37-0

S-Ethylisothiourea hydrobromide(1071-37-0) IR2

Product NameS-Ethylisothiourea hydrobromide

CAS 1071-37-0

Molecular FormulaC3H9BrN2S

Molecular Weight185.09

InChIInChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H

InChIKey SWXXKWPYNMZFTE-UHFFFAOYSA-N

SmilesS(CC)C(=N)N.Br

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S-Ethylisothiourea hydrobromide(1071-37-0) IR2
Mass

MS-NW-5484          
2-ethylisothiourea hydrobromide
C3H8N2S HBr         (Mass of molecular ion:    104)

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

      13.0       1.0
      18.0       1.8
      26.0       2.8
      27.0      13.2
      28.0       7.9
      29.0      12.8
      32.0       1.0
      34.0       2.4
      35.0       3.8
      41.0       1.8
      42.0      13.8
      43.0     100.0
      44.0       6.1
      45.0       4.4
      46.0       4.8
      47.0      11.9
      48.0       1.4
      57.0       1.3
      58.0       2.7
      59.0       3.7
      60.0       4.9
      61.0       4.5
      62.0      15.3
      71.0      16.9
      76.0      20.6
      78.0       1.1
      79.0       9.6
      80.0      25.9
      81.0       9.5
      82.0      25.3
      89.0       1.8
     104.0       7.2

90 MHz in D2O

S-Ethylisothiourea hydrobromide(1071-37-0) IR2

¹H NMR	89.56 MHz
C₃ H₈ N₂ S	saturated in D₂O
2-ethylisothiourea hydrobromide

    Assign.     Shift(ppm)

      A             3.141
      B             1.384
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    293.50   3.278    116
    285.81   3.192    446
    278.38   3.109    490
    271.06   3.027    161
    130.94   1.463    519
    123.69   1.382   1000
    116.19   1.298    420

KBr disc