25985-57-3

2-(Amidinothio)ethanesulfonic acid(25985-57-3) IR2

Product Name2-(Amidinothio)ethanesulfonic acid

CAS 25985-57-3

Molecular FormulaC3H8N2O3S2

Molecular Weight184.24

InChIInChI=1S/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)

InChIKey LTHWZZOUNJCHES-UHFFFAOYSA-N

SmilesC(S(O)(=O)=O)CSC(N)=N

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IR1

IR2

2-(Amidinothio)ethanesulfonic acid(25985-57-3) IR2
Mass

MS-IW-4837          
2-(amidinothio)ethanesulfonic acid
C3H8N2O3S2          (Mass of molecular ion:    184)

   Source Temperature: 180 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      13.0       1.4
      15.0       1.3
      16.0      11.5
      17.0      16.6
      18.0       9.7
      26.0       8.2
      27.0      39.9
      28.0      16.9
      29.0       2.9
      32.0       7.5
      33.0       3.4
      34.0       7.6
      35.0      10.1
      41.0       3.7
      42.0      32.9
      43.0      28.7
      44.0       8.3
      45.0      25.7
      46.0       2.8
      47.0       7.1
      48.0      10.5
      57.0       3.1
      58.0      11.1
      59.0      48.3
      60.0     100.0
      61.0      26.1
      62.0       6.7
      63.0       1.6
      64.0      32.1
      65.0      10.2
      66.0       2.8
      68.0       3.0
      74.0       1.8
      76.0      23.8
      78.0       2.1
      81.0       2.6
      82.0       1.2
      83.0       1.0
      84.0       3.1
      85.0       9.9
      86.0       4.0
      91.0       1.1
     101.0       1.6
     124.0       2.1
     126.0       7.7
     127.0       4.2
     142.0       5.9
     143.0       1.7
     151.0       1.3
     166.0       1.7

KBr disc