2487-40-3

2-Thioxanthine(2487-40-3) IR1

Product Name2-Thioxanthine

CAS 2487-40-3

Molecular FormulaC5H4N4OS

Molecular Weight168.18

InChIInChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey XNHFAGRBSMMFKL-UHFFFAOYSA-N

SmilesN1C2=C(NC(=S)NC2=O)NC=1

Request For Quotation

¹HNMR

IR1

IR2

2-Thioxanthine(2487-40-3) IR1
Mass

MS-NW-1799          
2-mercapto-6-purinol
C5H4N4OS            (Mass of molecular ion:    168)

   Source Temperature: 250 °C
   Sample Temperature: 310 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.5
      26.0       1.3
      27.0      10.5
      28.0      21.6
      32.0       4.2
      33.0       1.3
      34.0       1.9
      38.0       3.0
      39.0       2.8
      40.0       1.1
      43.0       2.0
      44.0       5.3
      45.0       1.1
      52.0       1.8
      53.0      15.1
      54.0      43.3
      55.0       4.4
      58.0       2.0
      59.0       8.0
      60.0       6.8
      64.0       1.2
      65.0       1.0
      66.0       1.4
      67.0       1.1
      68.0       1.5
      70.0       5.4
      71.0       2.9
      80.0       4.1
      81.0       6.5
      82.0       4.9
      85.0       1.9
      86.0       4.2
      98.0       1.0
     107.0       1.4
     108.0       1.1
     109.0      24.6
     110.0      45.4
     111.0       2.4
     123.0       2.3
     125.0       1.9
     134.0       1.4
     135.0       7.0
     136.0       1.8
     140.0       2.0
     150.0       3.4
     151.0       5.6
     152.0       1.9
     168.0     100.0
     169.0       7.7
     170.0       5.2