5-Phenyl-4H-1,2,4-triazole-3-thiol(3414-94-6) IR2
Product Name5-Phenyl-4H-1,2,4-triazole-3-thiol
CAS3414-94-6
Molecular FormulaC8H7N3S
Molecular Weight177.23
InChIInChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
InChIKey JRLMMJNORORYPO-UHFFFAOYSA-N
SmilesN1C(C2=CC=CC=C2)=NC(=S)N1
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MassMS-IW-4686 5-phenyl-1H-1,2,4-triazole-3-thiol C8H7N3S (Mass of molecular ion: 177)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 2.0 45.0 1.5 50.0 2.6 51.0 5.0 52.0 1.1 62.0 1.0 63.0 2.9 64.0 2.1 74.0 7.3 75.0 1.4 76.0 4.5 77.0 14.4 78.0 1.3 88.5 3.5 89.0 2.0 90.0 1.2 91.0 13.7 92.0 1.2 103.0 8.3 104.0 20.6 105.0 3.4 118.0 32.2 119.0 9.9 145.0 1.5 176.0 1.3 177.0 100.0 178.0 11.3 179.0 5.1
KBr disc
nujol mull
