2-Thioxanthine(2487-40-3) IR1
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
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![](https://www.chemicalbook.com/Spectrum/2487-40-3_MS_1.jpg)
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