N-METHYLTHIOUREA(598-52-7) IR1

Product NameN-METHYLTHIOUREA

CAS 598-52-7

Molecular FormulaC2H6N2S

Molecular Weight90.15

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

InChIKey KQJQICVXLJTWQD-UHFFFAOYSA-N

SmilesN(C)C(N)=S

Request For Quotation

Mass

MS-NW-2769          
N-methylthiourea
C2H6N2S             (Mass of molecular ion:     90)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       4.6
      18.0       2.6
      27.0       2.0
      28.0      23.0
      29.0       2.4
      30.0      50.5
      31.0       3.2
      32.0       2.8
      33.0       1.9
      34.0       1.2
      42.0       2.8
      43.0      12.0
      44.0       1.1
      45.0       2.5
      46.0       1.0
      47.0       2.7
      55.0       7.6
      56.0       4.4
      57.0      33.1
      58.0       1.7
      59.0       5.2
      60.0      27.7
      61.0       4.8
      62.0       3.7
      72.0       1.7
      73.0       1.7
      74.0       6.0
      90.0     100.0
      91.0       3.8
      92.0       4.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂ H₆ N₂ S	0.038 g : 0.5 ml DMSO-d₆
N-methylthiourea

    Assign.     Shift(ppm)

      A             7.59
      A             7.45
      B             7.2
      B             6.90
      C             2.82
      C             2.64
     
     RESTRICTED INTERNAL ROTATION

     Hz     ppm     Int.

   3031.49   7.586    195
   2978.27   7.453    282
   2873.17   7.190    104
   2756.59   6.898    466
   1127.81   2.822   1000
   1053.71   2.637    627

in DMSO-d6

D2O