2-Pyridinethione(2637-34-5) 13C NMR
Product Name2-Pyridinethione
CAS2637-34-5
Molecular FormulaC5H5NS
Molecular Weight111.16
InChIInChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey WHMDPDGBKYUEMW-UHFFFAOYSA-N
SmilesC1(=S)NC=CC=C1
-
MassMS-NW-4633 2(1H)-pyridinethione C5H5NS (Mass of molecular ion: 111)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.8 26.0 2.9 27.0 5.1 28.0 3.5 37.0 2.8 38.0 4.5 39.0 21.3 40.0 3.3 41.0 3.8 44.0 1.5 45.0 6.0 49.0 1.7 50.0 8.7 51.0 27.0 52.0 9.7 53.0 1.4 55.0 2.7 57.0 6.5 58.0 7.1 59.0 1.6 60.0 1.5 64.0 1.0 66.0 1.4 67.0 100.0 68.0 4.7 69.0 4.0 70.0 1.4 75.0 1.3 76.0 1.5 78.0 35.0 79.0 3.5 81.0 2.0 82.0 3.8 83.0 10.2 84.0 6.7 85.0 1.2 110.0 13.0 111.0 99.5 112.0 7.0 113.0 5.0 155.0 1.6 156.0 4.6 187.0 2.1 220.0 2.1
400 MHz in DMSO-d6
90 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H5 N S 0.038 g : 0.5 ml DMSO-d6 2(1H)-pyridinethione 
Assign. Shift(ppm)
A 13.5 B 7.671 C 7.429 D 7.310 E 6.770 J(B,E)=5.8HZ
Hz ppm Int.5397.45 13.506 94 3068.72 7.679 445 3062.95 7.665 456 3052.69 7.639 30 2978.54 7.453 444 2976.83 7.449 432 2971.70 7.436 506 2969.78 7.431 1000 2968.07 7.427 659 2962.94 7.414 669 2961.23 7.410 627 2956.96 7.399 30 2925.33 7.320 998 2916.79 7.299 715 2713.15 6.789 478 2711.86 6.786 515 2706.10 6.772 797 2705.45 6.770 810 2699.90 6.756 463 2698.62 6.753 472
-
1H NMR 89.56 MHz C5 H5 N S 0.041 g : 0.5 ml CDCl3 2(1H)-pyridinethione Assign. Shift(ppm)
A 2.7 B 6.808 C 7.42 D 7.57 E 7.68
Hz ppm Int.687.94 7.682 517 682.44 7.620 828 675.56 7.544 940 674.94 7.537 994 674.56 7.532 1000 674.19 7.528 999 673.19 7.517 818 672.25 7.507 743 670.56 7.488 498 669.00 7.470 172 665.69 7.433 670 664.00 7.415 500 662.00 7.392 152 658.94 7.358 131 658.50 7.353 132 657.13 7.338 228 655.31 7.317 184 617.63 6.897 401 615.94 6.878 314 614.50 6.862 157 611.25 6.826 611 609.63 6.807 487 607.56 6.784 122 604.75 6.753 276 603.06 6.734 216
in CDCl3
KBr disc
nujol mull
