Methylthiouracil(56-04-2) IR2
Product NameMethylthiouracil
CAS56-04-2
Molecular FormulaC5H6N2OS
Molecular Weight142.18
InChIInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKey HWGBHCRJGXAGEU-UHFFFAOYSA-N
SmilesC1(=S)NC(C)=CC(=O)N1
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MassMS-NW-4570 6-methyl-2-thiouracil C5H6N2OS (Mass of molecular ion: 142)
Source Temperature: 210 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.3 18.0 2.9 26.0 1.3 27.0 3.7 28.0 5.4 32.0 1.3 37.0 1.2 38.0 2.5 39.0 7.8 40.0 4.1 41.0 3.4 42.0 43.2 43.0 2.6 45.0 1.9 46.0 1.1 52.0 2.0 53.0 1.0 54.0 4.6 55.0 3.6 57.0 3.1 59.0 3.5 60.0 2.7 67.0 3.2 68.0 25.5 69.0 3.9 71.0 1.3 72.0 2.9 82.0 1.4 83.0 11.5 84.0 14.8 86.0 1.5 87.0 1.9 109.0 4.6 113.0 1.5 114.0 5.7 142.0 100.0 143.0 7.1 144.0 4.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H6 N2 O S 0.039 g : 0.5 ml DMSO-d6 6-methyl-2-thiouracil 
Assign. Shift(ppm)
A *1 12.31 B *1 12.26 C 5.692 D 2.077
Hz ppm Int.4919.85 12.311 74 4919.48 12.310 74 4900.07 12.261 74 2275.29 5.694 295 830.66 2.079 1000
in DMSO-d6
KBr disc
nujol mull
