504-17-6

2-Thiobarbituric acid(504-17-6) IR2

Product Name2-Thiobarbituric acid

CAS 504-17-6

Molecular FormulaC4H4N2O2S

Molecular Weight144.15

InChIInChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

InChIKey RVBUGGBMJDPOST-UHFFFAOYSA-N

SmilesC1(=S)NC(=O)CC(=O)N1

Request For Quotation

¹³CNMR

IR1

IR2

2-Thiobarbituric acid(504-17-6) IR2
Mass

MS-NW-0274          
2-thiobarbituric acid
C4H4N2O2S           (Mass of molecular ion:    144)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      14.0       2.0
      17.0       1.7
      18.0       9.0
      27.0       1.4
      28.0       4.5
      29.0       1.3
      32.0       3.0
      40.0       1.3
      41.0       5.1
      42.0      42.7
      43.0      40.1
      44.0       2.4
      45.0       1.1
      46.0       2.8
      47.0       2.8
      55.0       3.0
      56.0       4.5
      57.0       3.0
      58.0       2.0
      59.0      23.9
      60.0       4.8
      61.0       1.1
      68.0       1.1
      69.0      25.9
      70.0       1.0
      71.0       1.5
      73.0       1.5
      74.0       2.4
      76.0       2.8
      81.0       1.4
      83.0       1.6
      84.0       4.0
      85.0       1.0
      86.0       1.6
      97.0       1.2
     101.0       1.1
     112.0       2.3
     116.0      32.8
     117.0       1.7
     118.0       1.6
     144.0     100.0
     145.0       6.1
     146.0       5.0

DMSO-d6