5707 -OEChem-10051722133D 31 32 0 0 0 0 0 0 0999 V2000 2.7423 0.2476 -1.4765 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 0.1277 -1.0299 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 0.0493 0.9144 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 -0.5859 0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 0.0379 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1596 0.2061 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 0.0660 1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -1.2127 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 1.1961 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 0.1316 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -1.3026 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 1.1061 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -2.4722 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 2.5482 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 -0.1433 0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -0.6119 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.6265 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -0.2414 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 1.2347 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9567 1.0976 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5588 -0.4802 2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.1909 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -2.2677 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 1.9990 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 -2.6120 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -2.4470 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 -3.3538 -0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 2.6855 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 3.3495 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 2.6779 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 -0.2133 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > DB11477 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPICBUSOMSTKRF-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC(C)=C1NC1=NCCCS1 > InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14) > BPICBUSOMSTKRF-UHFFFAOYSA-N > C12H16N2S > 220.33 > 220.103419697 > 2 > 31 > 24.76316855203423 > 1 > 1 > 0 > 1 > N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine > 3.23 > 3.6327140153333324 > -2.93 > 0 > 2 > 1 > 6.941358075703275 > 24.39 > 68.8221 > 1 > 1 > 2.61e-01 g/l > xylazine > 1 $$$$