Product Name2-Thiouracil
CAS141-90-2
Molecular FormulaC4H4N2OS
Molecular Weight128.15
InChIInChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey ZEMGGZBWXRYJHK-UHFFFAOYSA-N
SmilesC1(=S)NC=CC(=O)N1
Mass
MS-NW-0642 2-thioxo-2,3-dihydro-4(1H)-pyrimidinone C4H4N2OS (Mass of molecular ion: 128)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
14.0 1.2 18.0 3.2 26.0 2.6 27.0 1.2 28.0 20.6 32.0 2.7 38.0 1.2 39.0 2.2 40.0 11.5 41.0 13.6 42.0 25.5 43.0 2.2 44.0 1.4 45.0 2.3 46.0 1.5 50.0 1.4 52.0 1.0 53.0 3.3 58.0 2.5 59.0 6.1 60.0 4.3 64.0 1.3 67.0 1.8 68.0 10.1 69.0 31.7 70.0 20.0 72.0 2.3 73.0 2.2 95.0 5.0 96.0 1.3 100.0 2.9 128.0 100.0 129.0 6.1 130.0 5.0
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C4 H4 N2 O S | 0.037 g : 0.5 ml DMSO-d6 |
2-thioxo-2,3-dihydro-4(1H)-pyrimidinone |
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Assign. Shift(ppm) |
Hz ppm Int.
4964.09 12.422 52 2975.98 7.447 23 2971.92 7.437 906 2964.23 7.418 982 2959.95 7.407 24 2339.84 5.855 1000 2332.15 5.836 950
in DMSO-d6
KBr disc
nujol mull
2-Thiouracil(141-90-2) 1H NMR Atlas of Related Products
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