1H-1,2,4-Triazole-3-thiol(3179-31-5) IR2
Product Name1H-1,2,4-Triazole-3-thiol
CAS3179-31-5
Molecular FormulaC2H3N3S
Molecular Weight101.13
InChIInChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
InChIKey AFBBKYQYNPNMAT-UHFFFAOYSA-N
SmilesN1C=NC(=S)N1
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MassMS-NW-8043 1H-1,2,4-triazole-3-thiol C2H3N3S (Mass of molecular ion: 101)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
12.0 1.0 13.0 2.2 14.0 1.3 18.0 3.5 26.0 1.0 27.0 5.7 28.0 28.1 29.0 4.0 32.0 7.7 33.0 2.5 34.0 1.1 41.0 3.4 42.0 43.4 43.0 47.6 44.0 8.3 45.0 15.0 46.0 6.0 47.0 6.4 50.0 3.3 58.0 1.9 59.0 9.6 60.0 11.6 70.0 2.7 71.0 3.9 72.0 1.0 73.0 1.3 74.0 22.3 76.0 1.0 101.0 100.0 102.0 5.2 103.0 4.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C2 H3 N3 S 0.040 g : 0.5 ml DMSO-d6 1H-1,2,4-triazole-3-thiol 
Assign. Shift(ppm)
A *1 13.5 B *1 13.3 C 8.277
Hz ppm Int.5408.77 13.534 186 5318.59 13.309 114 3308.47 8.279 945 3307.40 8.276 1000
in DMSO-d6
KBr disc
nujol mull
