2-Aminothiazole (96-50-4) MS
Product Name2-Aminothiazole
CAS96-50-4
Molecular FormulaC3H4N2S
Molecular Weight100.14
InChIInChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKey RAIPHJJURHTUIC-UHFFFAOYSA-N
SmilesS1C=CN=C1N
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MassMS-NW-5044 2-thiazolamine C3H4N2S (Mass of molecular ion: 100)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.8 27.0 8.2 28.0 10.6 29.0 1.0 32.0 1.9 34.0 1.3 38.0 1.1 39.0 1.4 40.0 2.4 41.0 2.5 42.0 2.0 43.0 5.4 44.0 2.6 45.0 10.5 46.0 7.8 47.0 1.3 50.0 1.1 53.0 1.1 55.0 4.5 57.0 7.7 58.0 64.4 59.0 3.4 60.0 6.0 70.0 1.3 73.0 17.1 74.0 1.4 76.0 1.4 78.0 1.0 100.0 100.0 101.0 5.2 102.0 4.8
parameter in DMSO-d6
parameter in CF3COOH
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1H NMR 300 MHz C3 H4 N2 S 7.9 wt% in DMSO 2-aminothiazole 
Parameter ppm Hz
D(A) 6.93 D(B) 6.53 J(A,B) 3.70 D(C) 6.86 DAHLBOM,R. ET AL. ACTA CHEM.SCAND. 17, 2518 (1963)
Hz ppm Int.2080.88 6.936 247 2077.18 6.924 263 2058.00 6.860 1000 1960.82 6.536 262 1957.13 6.524 247
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1H NMR 300 MHz C3 H4 N2 S 10.9 wt% in CF3COOH 2-aminothiazole Parameter ppm Hz
D(A) 7.14 D(B) 6.76 J(A,B) 4.65 D(C) 11.42 DAHLBOM,R. ET AL. ACTA CHEM.SCAND. 17, 2518 (1963)
Hz ppm Int.3426.01 11.420 1000 2144.35 7.148 242 2139.75 7.132 262 2030.26 6.768 262 2025.66 6.752 242
in CDCl3
KBr disc
nujol mull
