2-Mercapto-5-methyl-1,3,4-thiadiazole(29490-19-5) IR1
Product Name2-Mercapto-5-methyl-1,3,4-thiadiazole
CAS29490-19-5
Molecular FormulaC3H4N2S2
Molecular Weight132.21
InChIInChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)
InChIKey FPVUWZFFEGYCGB-UHFFFAOYSA-N
SmilesS1C(C)=NNC1=S
-
MassMS-IW-1788 5-methyl-1,3,4-thiadiazole-2-thiol C3H4N2S2 (Mass of molecular ion: 132)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.3 26.0 4.2 27.0 9.1 28.0 1.9 29.0 3.1 32.0 4.9 40.0 1.5 41.0 2.3 42.0 7.6 44.0 2.8 45.0 5.9 46.0 1.9 47.0 2.5 55.0 4.0 56.0 84.3 57.0 3.0 58.0 4.0 59.0 14.3 64.0 12.3 66.0 2.0 72.0 2.7 73.0 1.5 76.0 4.0 77.0 1.2 91.0 2.3 99.0 1.7 132.0 100.0 133.0 6.3 134.0 9.3
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C3 H4 N2 S2 0.040 g : 0.5 ml DMSO-d6 5-methyl-1,3,4-thiadiazole-2-thiol 
Assign. Shift(ppm)
A 4.28 B 2.460
Hz ppm Int.986.94 2.470 30 983.52 2.461 1000 979.37 2.451 28
in DMSO-d6
KBr disc
nujol mull
