3-Amino-5-mercapto-1,2,4-triazole(16691-43-3) MS
Product Name3-Amino-5-mercapto-1,2,4-triazole
CAS16691-43-3
Molecular FormulaC2H4N4S
Molecular Weight116.14
InChIInChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
InChIKey WZUUZPAYWFIBDF-UHFFFAOYSA-N
SmilesN1C(N)=NC(=S)N1
-
MassMS-KW-0237 3-amino-1,2,4-triazole-5-thiol C2H4N4S (Mass of molecular ion: 116)
Source Temperature: 190 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.6 18.0 5.0 26.0 1.3 27.0 8.2 28.0 29.2 29.0 5.1 30.0 1.6 32.0 9.1 33.0 2.7 34.0 2.6 41.0 2.0 42.0 12.6 43.0 23.1 44.0 3.4 45.0 4.8 46.0 1.9 47.0 2.2 53.0 1.3 57.0 34.2 58.0 17.0 59.0 8.1 60.0 12.2 61.0 2.2 64.0 2.4 74.0 18.6 76.0 1.1 85.0 7.8 86.0 4.6 87.0 1.1 116.0 100.0 117.0 5.0 118.0 4.6
in DMSO-d6
KBr disk
nujol mull
