2-Amino-1,3,4-thiadiazole(4005-51-0) IR2
Product Name2-Amino-1,3,4-thiadiazole
CAS4005-51-0
Molecular FormulaC2H3N3S
Molecular Weight101.13
InChIInChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)
InChIKey QUKGLNCXGVWCJX-UHFFFAOYSA-N
SmilesS1C=NN=C1N
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MassMS-NW-9341 2-amino-1,3,4-thiadiazole C2H3N3S (Mass of molecular ion: 101)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
13.0 1.2 18.0 4.3 27.0 2.7 28.0 13.6 29.0 2.4 32.0 6.7 33.0 1.6 41.0 1.8 42.0 10.2 43.0 7.6 44.0 2.8 45.0 14.1 46.0 5.8 47.0 5.9 58.0 2.5 59.0 7.0 60.0 13.1 74.0 68.3 75.0 1.9 76.0 3.3 101.0 100.0 102.0 7.6 103.0 4.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C2 H3 N3 S 0.039 g : 0.5 ml DMSO-d6 2-amino-1,3,4-thiadiazole 
Assign. Shift(ppm)
A 8.595 B 7.24
Hz ppm Int.3435.36 8.596 1000 3434.45 8.594 538 2892.76 7.239 474
in DMSO-d6
KBr disc
nujol mull
