2-Amino-5-nitrothiazole(121-66-4) MS
Product Name2-Amino-5-nitrothiazole
CAS121-66-4
Molecular FormulaC3H3N3O2S
Molecular Weight145.14
InChIInChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)
InChIKey MIHADVKEHAFNPG-UHFFFAOYSA-N
SmilesS1C([N+]([O-])=O)=CN=C1N
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MassMS-NW-5051 5-nitro-2-thiazolamine C3H3N3O2S (Mass of molecular ion: 145)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
16.0 1.0 17.0 1.5 18.0 5.6 26.0 3.3 27.0 20.1 28.0 25.0 29.0 1.9 30.0 16.4 32.0 6.4 33.0 1.3 34.0 1.4 38.0 2.0 39.0 2.0 41.0 1.1 42.0 5.4 43.0 9.8 44.0 10.2 45.0 13.5 46.0 2.4 47.0 1.0 52.0 1.8 53.0 5.6 54.0 2.4 55.0 33.2 56.0 1.1 57.0 55.5 58.0 4.1 59.0 10.7 60.0 17.1 61.0 1.0 64.0 4.0 70.0 5.8 71.0 7.8 72.0 21.0 73.0 1.8 74.0 1.2 76.0 4.4 78.0 1.1 79.0 1.6 80.0 2.3 82.0 1.9 98.0 1.9 99.0 68.6 100.0 3.7 101.0 3.3 115.0 4.7 129.0 2.9 145.0 100.0 146.0 5.4 147.0 5.1
parameter in DMSO-d6
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1H NMR 300 MHz C3 H3 N3 O2 S 0.039 g : 0.5 ml DMSO-d6 2-amino-5-nitrothiazole 
Parameter ppm Hz
D(A) 8.76 D(B) 8.239
Hz ppm Int.2628.00 8.760 202 2471.70 8.239 1000
KBr disc
nujol mull
