Product NameDITHIOURACIL
CAS2001-93-6
Molecular FormulaC4H4N2S2
Molecular Weight144.22
InChIInChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey ZEQIWKHCJWRNTH-UHFFFAOYSA-N
SmilesC1(=S)NC=CC(=S)N1

Mass
MS-NW-5056 2,4(1H,3H)-pyrimidinedithione C4H4N2S2 (Mass of molecular ion: 144)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 1.3
26.0 2.0
27.0 4.1
28.0 14.8
32.0 7.7
33.0 4.1
34.0 10.3
38.0 2.0
39.0 1.6
40.0 2.1
41.0 1.7
44.0 3.7
45.0 4.3
50.0 1.2
51.0 6.7
52.0 8.8
53.0 1.8
56.0 1.3
57.0 8.8
58.0 26.2
59.0 11.8
60.0 5.9
64.0 2.5
69.0 4.9
70.0 8.4
71.0 1.2
72.0 6.2
76.0 1.8
78.0 1.0
82.0 1.3
83.0 7.2
84.0 5.7
85.0 11.3
86.0 23.8
87.0 1.5
88.0 1.1
100.0 1.9
102.0 1.4
110.0 21.8
111.0 13.7
112.0 2.0
116.0 3.2
117.0 1.3
143.0 1.4
144.0 100.0
145.0 7.3
146.0 9.3

KBr disc

nujol mull


DITHIOURACIL(2001-93-6) 1H NMR Atlas of Related Products
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