5-Amino-3-phenyl-1,2,4-thiadiazole(17467-15-1) MS
Product Name5-Amino-3-phenyl-1,2,4-thiadiazole
CAS17467-15-1
Molecular FormulaC8H7N3S
Molecular Weight177.23
InChIInChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey OYAHSBDYBOBAAQ-UHFFFAOYSA-N
SmilesS1C(N)=NC(C2=CC=CC=C2)=N1
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MassMS-NW-6237 5-amino-3-phenyl-1,2,4-thiadiazole C8H7N3S (Mass of molecular ion: 177)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.2 18.0 6.2 27.0 1.3 28.0 2.5 38.0 1.2 39.0 3.2 42.0 2.4 43.0 1.0 45.0 1.4 46.0 1.5 47.0 1.2 50.0 6.3 51.0 9.1 52.0 2.3 60.0 2.6 62.0 1.0 63.0 2.5 64.0 1.5 74.0 8.9 75.0 3.7 76.0 10.5 77.0 21.6 78.0 1.7 88.5 2.7 90.0 1.2 91.0 5.6 102.0 1.2 103.0 27.6 104.0 8.3 108.0 4.1 109.0 1.5 134.0 3.5 135.0 100.0 136.0 9.9 137.0 5.3 177.0 80.7 178.0 9.0 179.0 4.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 N3 S 0.042 g : 0.5 ml CDCl3 5-amino-3-phenyl-1,2,4-thiadiazole 
Assign. Shift(ppm)
A 8.13 B 7.53 to 7.33 C 5.98
Hz ppm Int.737.19 8.232 47 736.31 8.222 32 735.06 8.208 65 733.19 8.187 380 731.69 8.170 227 731.00 8.163 217 730.00 8.151 363 729.06 8.141 319 727.75 8.126 326 726.31 8.110 402 724.94 8.095 286 723.38 8.078 518 721.38 8.055 106 719.44 8.034 68 677.31 7.563 32 676.13 7.550 31 673.81 7.524 39 672.25 7.507 110 671.31 7.496 91 670.31 7.485 242 669.56 7.477 211 668.31 7.463 881 666.94 7.447 408 666.19 7.439 495 665.00 7.426 914 663.81 7.412 487 661.75 7.389 1000 660.50 7.375 237 660.00 7.370 261 657.81 7.345 103 656.25 7.328 39 655.56 7.320 31 535.88 5.984 122
in CDCl3
KBr disc
nujol mull
