4-Methyl-1,2,4-triazole-3-thiol(24854-43-1) IR2
Product Name4-Methyl-1,2,4-triazole-3-thiol
CAS24854-43-1
Molecular FormulaC3H5N3S
Molecular Weight115.16
InChIInChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)
InChIKey AGWWTUWTOBEQFE-UHFFFAOYSA-N
SmilesN1=CN(C)C(=S)N1
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MassMS-NW-9609 4-methyl-1,2,4-triazole-3-thiol C3H5N3S (Mass of molecular ion: 115)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.7 28.0 5.4 29.0 3.6 30.0 3.9 42.0 13.2 43.0 1.0 44.0 1.3 45.0 2.1 46.0 1.1 47.0 1.2 55.0 6.2 56.0 4.3 57.0 4.7 57.5 2.8 59.0 2.3 60.0 12.7 61.0 1.1 70.0 1.7 72.0 1.3 73.0 1.9 74.0 12.3 82.0 1.3 83.0 1.0 85.0 1.1 114.0 1.9 115.0 100.0 116.0 7.4 117.0 4.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H5 N3 S 0.040 g : 0.5 ml DMSO-d6 4-methyl-1,2,4-triazole-3-thiol 
Assign. Shift(ppm)
A 13.7 B 8.407 C 3.453
Hz ppm Int.3360.18 8.408 387 1380.40 3.455 1000
D2O
KBr disc
nujol mull
