6-Thioguanine(154-42-7) Raman

Product Name6-Thioguanine

CAS 154-42-7

Molecular FormulaC5H5N5S

Molecular Weight167.19

InChIInChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChIKey WYWHKKSPHMUBEB-UHFFFAOYSA-N

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

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Mass

MS-NW-1824          
2-amino-6-purinethiol
C5H5N5S             (Mass of molecular ion:    167)

   Source Temperature: 250 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      18.0       1.8
      27.0       2.9
      28.0      17.9
      29.0       1.0
      32.0       1.0
      38.0       1.9
      39.0       1.1
      41.0       1.0
      42.0       1.9
      43.0      13.6
      44.0       1.6
      45.0       4.0
      53.0       9.0
      54.0       4.5
      55.0       2.0
      59.0       1.1
      60.0       4.0
      65.0       2.5
      66.0       1.8
      67.0       1.2
      68.0       8.8
      70.0       5.5
      71.0       4.0
      72.0       1.2
      80.0       3.6
      81.0       2.1
      82.0       1.1
      83.0       2.0
      83.5       1.0
      85.0       4.7
      86.0       1.7
      92.0       4.2
      97.0       1.5
      98.0       5.7
     107.0       7.6
     108.0       5.3
     109.0       7.8
     112.0       3.5
     113.0       1.0
     125.0      18.7
     126.0       4.5
     127.0       1.0
     133.0       1.7
     134.0      23.4
     135.0       2.0
     139.0       9.6
     140.0       1.8
     150.0       5.4
     151.0       1.1
     166.0       1.5
     167.0     100.0
     168.0       8.4
     169.0       5.0