2-Amino-5-bromothiazole(3034-22-8) IR2
Product Name2-Amino-5-bromothiazole
CAS3034-22-8
Molecular FormulaC3H3BrN2S
Molecular Weight179.04
InChIInChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
InChIKey ARHCLXWELPFVFQ-UHFFFAOYSA-N
SmilesS1C(Br)=CN=C1N
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MassMS-NW-6611 2-amino-5-bromothiazole hydrobromide C3H3BrN2S HBr (Mass of molecular ion: 178)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.4 18.0 11.6 27.0 1.9 28.0 11.6 32.0 2.0 38.0 1.7 39.0 1.3 40.0 1.1 42.0 1.6 43.0 2.3 44.0 5.5 45.0 7.1 49.5 8.3 53.0 1.7 54.0 1.0 55.0 19.3 56.0 1.5 57.0 34.2 58.0 3.0 59.0 2.7 60.0 4.9 70.0 3.4 71.0 3.7 72.0 11.8 73.0 1.7 79.0 11.0 80.0 27.5 81.0 11.1 82.0 26.4 89.0 1.0 90.0 1.1 98.0 2.6 99.0 100.0 100.0 7.3 101.0 4.9 106.0 1.2 123.0 1.6 125.0 1.6 136.0 5.8 138.0 6.0 178.0 58.2 179.0 3.2 180.0 59.1 181.0 2.8 182.0 2.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H3 Br N2 S 0.040 g : 0.5 ml DMSO-d6 2-amino-5-bromothiazole hydrobromide 
Assign. Shift(ppm)
A 7.597
Hz ppm Int.3036.35 7.598 1000
KBr disc
nujol mull
