4-Amino-6-chloro-2-(methylthio)pyrimidine(1005-38-5) 13C NMR
Product Name4-Amino-6-chloro-2-(methylthio)pyrimidine
CAS1005-38-5
Molecular FormulaC5H6ClN3S
Molecular Weight175.64
InChIInChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKey ISUXMAHVLFRZQU-UHFFFAOYSA-N
SmilesC1(SC)=NC(Cl)=CC(N)=N1
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MassMS-NW-6270 4-amino-6-chloro-2-(methylthio)pyrimidine C5H6ClN3S (Mass of molecular ion: 175)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.8 17.0 1.3 18.0 5.4 27.0 1.5 28.0 4.9 29.0 1.0 38.0 2.3 39.0 4.8 40.0 10.9 41.0 4.9 42.0 3.1 43.0 8.5 44.0 2.6 45.0 7.4 46.0 5.1 47.0 5.9 50.0 1.7 51.0 2.9 52.0 2.8 53.0 1.9 57.0 1.1 58.0 1.5 59.0 2.2 60.0 3.0 62.0 3.1 63.0 1.0 64.0 1.2 65.0 4.4 66.0 10.1 67.0 35.4 68.0 4.2 69.0 2.3 70.0 1.4 72.0 1.9 73.0 2.7 74.0 12.7 75.0 1.6 76.0 2.6 77.0 1.9 79.0 1.3 83.0 1.9 85.0 1.3 86.0 2.8 87.0 2.2 88.0 1.6 89.0 1.2 91.0 7.2 92.0 8.6 93.0 1.2 94.0 60.3 95.0 3.7 98.0 1.3 102.0 5.4 103.0 5.3 104.0 3.6 105.0 2.3 106.0 1.6 109.0 1.1 113.0 3.1 115.0 2.0 119.0 1.0 121.0 1.6 125.0 1.8 126.0 1.9 128.0 2.1 129.0 66.4 130.0 7.1 131.0 21.5 132.0 2.5 133.0 1.1 139.0 1.4 140.0 2.9 141.0 1.9 147.0 6.2 149.0 4.6 154.0 1.3 165.0 1.0 166.0 1.7 167.0 5.8 168.0 1.1 174.0 22.8 175.0 100.0 176.0 15.6 177.0 45.7 178.0 4.3 179.0 1.8 187.0 5.0 191.0 1.6 192.0 2.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H6 Cl N3 S 0.038 g : 0.5 ml DMSO-d6 4-amino-6-chloro-2-(methylthio)pyrimidine 
Assign. Shift(ppm)
A 7.29 B 6.191 C 2.419
Hz ppm Int.2914.06 7.292 157 2474.37 6.192 394 969.48 2.426 130 967.04 2.420 1000 963.99 2.413 124
in DMSO-d6
KBr disc
nujol mull
