5-Mercapto-1-methyltetrazole(13183-79-4) MS
Product Name5-Mercapto-1-methyltetrazole
CAS13183-79-4
Molecular FormulaC2H4N4S
Molecular Weight116.14
InChIInChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)
InChIKey XOHZHMUQBFJTNH-UHFFFAOYSA-N
SmilesN1(C)C(=S)N=NN1
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MassMS-IW-4201 1-methyl-1H-tetrazole-5-thiol C2H4N4S (Mass of molecular ion: 116)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.7 18.0 1.1 27.0 1.3 28.0 13.4 29.0 1.9 42.0 5.4 43.0 4.6 44.0 3.2 45.0 2.6 46.0 3.0 47.0 2.5 53.0 1.6 55.0 15.2 56.0 7.6 57.0 1.1 58.0 2.0 59.0 3.2 60.0 3.6 61.0 2.3 72.0 5.3 73.0 21.6 74.0 1.1 75.0 1.0 116.0 100.0 117.0 5.0 118.0 4.7
400 MHz at 30C
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1H NMR 399.65 MHz C2 H4 N4 S 0.040 g : 0.5 ml CDCl3 at 30C 1-methyl-1H-tetrazole-5-thiol 
Assign. Shift(ppm)
A 4.8 B 3.947
Hz ppm Int.1577.76 3.948 1000
in CDCl3
KBr disc
nujol mull
