867-44-7

2-Methyl-2-thiopseudourea sulfate(867-44-7) ¹³C NMR

Product Name2-Methyl-2-thiopseudourea sulfate

CAS 867-44-7

Molecular FormulaC2H8N2O4S2

Molecular Weight188.23

InChIInChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)

InChIKey SDDKIZNHOCEXTF-UHFFFAOYSA-N

SmilesC(=N)(N)SC

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2-Methyl-2-thiopseudourea sulfate(867-44-7) <sup>13</sup>C NMR
Mass

MS-NW-5458          
2-methylisothiourea sulfate
C2H6N2S 1/2H2O4S    (Mass of molecular ion:     90)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      13.0       1.3
      14.0       1.0
      15.0       2.6
      16.0       1.1
      17.0       1.8
      18.0       2.6
      28.0       5.2
      32.0       1.4
      41.0       2.0
      42.0      14.7
      43.0     100.0
      44.0       3.4
      45.0      12.0
      46.0       4.9
      47.0      17.2
      48.0      11.8
      49.0       1.1
      59.0       1.5
      72.0       1.1
      73.0       2.0
      74.0       1.8
      90.0      26.3
      91.0       1.2
      92.0       1.1

parameter in D2O

2-Methyl-2-thiopseudourea sulfate(867-44-7) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₂ H₆ N₂ S	0.040 g : 0.5 ml D₂O
2-methylisothiourea sulfate

    Parameter     ppm  Hz

      D(A)         2.605

     Hz     ppm     Int.

    781.50   2.605   1000

in D2O

KBr disc

nujol mull

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2-Methyl-2-thiopseudourea sulfate(867-44-7) 13C NMR

2-Methyl-2-thiopseudourea sulfate(867-44-7) ¹³C NMR