4-AMINO-2-MERCAPTOPYRIMIDINE(333-49-3) 13C NMR
Product Name4-AMINO-2-MERCAPTOPYRIMIDINE
CAS333-49-3
Molecular FormulaC4H5N3S
Molecular Weight127.17
InChIInChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKey DCPSTSVLRXOYGS-UHFFFAOYSA-N
SmilesC1(=S)NC(N)=CC=N1
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MassMS-NW-6836 4-amino-2-pyrimidinethiol C4H5N3S (Mass of molecular ion: 127)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 1.3 17.0 1.0 18.0 4.6 26.0 1.7 27.0 2.3 28.0 11.3 32.0 2.4 33.0 1.6 38.0 2.5 39.0 4.0 40.0 16.6 41.0 20.9 42.0 17.9 43.0 7.6 44.0 1.7 45.0 2.9 51.0 1.9 52.0 8.1 53.0 3.8 55.0 3.5 57.0 3.2 58.0 3.6 59.0 5.1 60.0 5.3 66.0 5.5 67.0 18.1 68.0 5.2 69.0 86.2 70.0 3.7 72.0 4.6 83.0 4.1 84.0 3.5 85.0 2.3 94.0 3.6 99.0 8.4 100.0 1.3 111.0 5.5 126.0 1.3 127.0 100.0 128.0 6.7 129.0 4.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H5 N3 S 0.028 g : 0.5 ml DMSO-d6 4-amino-2-pyrimidinethiol 
Assign. Shift(ppm)
A 12.0 B *1 7.82 C *1 7.60 D 7.467 E 5.964
Hz ppm Int.4819.11 12.059 122 3127.20 7.825 144 3035.98 7.597 229 2988.18 7.477 683 2981.03 7.460 710 2387.21 5.974 983 2380.07 5.956 1000
in DMSO-d6
KBr disc
nujol mull
