2194 -OEChem-10061700323D 22 23 0 0 0 0 0 0 0999 V2000 2.0349 1.8282 -0.3562 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 1.1759 -0.3336 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -1.6699 0.1304 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2191 -0.1629 0.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 0.1578 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 0.2703 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 0.3187 1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -0.1108 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 -0.0576 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 0.2109 1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -0.2184 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.7848 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -0.5187 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 -0.4388 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1462 0.5278 2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -0.2394 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 0.3370 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7604 -0.4285 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -1.7875 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6568 -1.4144 -1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 0.3702 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9945 -0.4886 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 11 2 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 M END > DB13853 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KYLIZBIRMBGUOP-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)C1=CC(=S)SS1 > InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3 > KYLIZBIRMBGUOP-UHFFFAOYSA-N > C10H8OS3 > 240.35 > 239.9737284 > 1 > 22 > 24.78246841430543 > 1 > 0 > 0 > 1 > 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione > 3.58 > 3.2866038476666666 > -4.44 > 0 > 2 > 0 > -4.828975083439206 > 9.23 > 70.15090000000001 > 2 > 1 > 8.79e-03 g/l > halpen > 1 $$$$