Propylthiouracil(51-52-5) IR1
Product NamePropylthiouracil
CAS51-52-5
Molecular FormulaC7H10N2OS
Molecular Weight170.23
InChIInChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N
SmilesC1(=S)NC(CCC)=CC(=O)N1
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MassMS-NW-0217 6-propyl-2-thiouracil C7H10N2OS (Mass of molecular ion: 170)
Source Temperature: 240 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.9 26.0 1.6 27.0 10.8 28.0 7.6 29.0 4.6 38.0 2.1 39.0 15.0 40.0 7.6 41.0 14.9 42.0 3.5 43.0 6.0 45.0 2.3 51.0 1.7 52.0 2.7 53.0 3.6 54.0 7.1 55.0 10.6 56.0 1.1 59.0 3.1 60.0 5.0 65.0 1.7 66.0 1.4 67.0 3.9 68.0 33.3 69.0 5.2 70.0 4.9 71.0 1.6 72.0 2.1 80.0 1.1 81.0 1.2 82.0 3.7 83.0 29.4 84.0 2.1 86.0 2.0 95.0 1.1 96.0 10.5 100.0 1.5 110.0 3.9 112.0 6.5 113.0 6.9 114.0 23.9 115.0 1.7 116.0 1.3 125.0 1.6 127.0 3.7 137.0 3.0 138.0 1.1 141.0 2.6 142.0 46.6 143.0 3.6 144.0 2.5 155.0 11.1 156.0 1.0 169.0 3.7 170.0 100.0 171.0 9.4 172.0 5.2
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H10 N2 O S 0.044 g : 0.5 ml DMSO-d6 6-propyl-2-thiouracil 
Assign. Shift(ppm)
A 12.2 B 5.677 C 2.330 D 1.55 E 0.89
Hz ppm Int.
1095.03 12.227 182 508.51 5.678 768 221.48 2.473 26 220.89 2.467 28 216.87 2.422 199 209.86 2.344 391 202.00 2.256 307 158.17 1.767 36 150.56 1.682 138 142.96 1.597 211 139.71 1.560 54 137.06 1.531 179 135.35 1.512 237 130.57 1.458 76 128.34 1.434 160 121.77 1.360 48 86.39 0.965 551 79.55 0.889 1000 72.03 0.805 311
in DMSO-d6
KBr disc
nujol mull
