2-MERCAPTO-4-METHYLPYRIMIDINE HYDROCHLORIDE(6959-66-6) MS
Product Name2-MERCAPTO-4-METHYLPYRIMIDINE HYDROCHLORIDE
CAS6959-66-6
Molecular FormulaC5H7ClN2S
Molecular Weight162.64
InChIInChI=1S/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKey UQJLPBLXSJWAKG-UHFFFAOYSA-N
SmilesN1C(S)=NC=CC=1C.Cl
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MassMS-NW-6697 4-methyl-2-pyrimidinethiol hydrochloride C5H6N2S HCl (Mass of molecular ion: 126)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 3.7 18.0 3.5 26.0 3.3 27.0 3.5 28.0 10.3 32.0 2.3 33.0 1.7 35.0 5.9 36.0 44.4 37.0 3.5 38.0 14.1 39.0 23.5 40.0 10.2 41.0 14.8 42.0 9.9 43.0 1.1 44.0 2.0 45.0 3.7 50.0 1.3 51.0 3.0 52.0 6.6 53.0 3.7 57.0 4.2 58.0 5.2 59.0 8.8 60.0 9.5 63.0 2.1 64.0 2.0 65.0 1.3 66.0 10.1 67.0 5.9 68.0 59.3 69.0 3.2 70.0 2.8 71.0 1.0 72.0 3.4 81.0 1.0 82.0 6.8 83.0 2.0 84.0 8.0 85.0 3.1 93.0 3.3 98.0 2.2 99.0 1.5 111.0 26.8 112.0 1.6 113.0 1.3 125.0 4.5 126.0 100.0 127.0 7.6 128.0 5.1
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C5 H6 N2 S 0.041 g : 0.5 ml DMSO-d6 4-methyl-2-pyrimidinethiol hydrochloride 
Assign. Shift(ppm)
A 9.05 B 8.534 C 7.230 D 2.426
Hz ppm Int.810.13 9.046 430 766.92 8.564 293 761.94 8.508 325 650.32 7.262 220 649.80 7.256 211 645.26 7.205 191 644.75 7.200 198 217.38 2.428 1000 217.02 2.424 938
in DMSO-d6
KBr disc
nujol mull
