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2-THIOURACIL-5-CARBOXYLIC ACID
Product Name 2-THIOURACIL-5-CARBOXYLIC ACID
CAS23945-50-8
MFC5H4N2O3S
MW172.16
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MassMS-NW-7134 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid C5H4N2O3S (Mass of molecular ion: 172)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 1.1 17.0 2.0 18.0 8.6 25.0 1.2 26.0 1.7 27.0 4.2 28.0 27.5 29.0 2.2 32.0 5.9 33.0 1.4 38.0 3.2 39.0 5.5 40.0 13.6 41.0 11.6 42.0 15.7 43.0 2.5 44.0 13.9 45.0 8.0 46.0 1.5 51.0 3.0 52.0 5.6 53.0 21.4 54.0 1.3 55.0 2.7 57.0 2.0 58.0 3.9 59.0 18.9 60.0 12.6 61.0 1.7 64.0 4.0 67.0 6.3 68.0 20.3 69.0 21.0 70.0 8.4 71.0 1.9 72.0 2.4 73.0 1.2 76.0 1.0 83.0 1.1 84.0 1.8 85.0 33.0 86.0 8.6 87.0 1.2 94.0 1.2 95.0 1.9 96.0 4.2 98.0 1.7 100.0 6.6 101.0 1.0 110.0 1.7 112.0 1.3 113.0 1.1 114.0 3.9 126.0 2.8 127.0 1.4 128.0 49.9 129.0 3.3 130.0 2.9 144.0 1.2 154.0 5.5 155.0 2.0 172.0 100.0 173.0 7.5 174.0 5.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H4 N2 O3 S 0.041 g : 0.5 ml DMSO-d6 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid 
Assign. Shift(ppm)
A 13.0 B 8.054
Hz ppm Int.5221.16 13.065 22 3223.00 8.065 23 3218.94 8.055 1000
KBr disc
nujol mull
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