697993 -OEChem-10051722153D 15 16 0 0 0 0 0 0 0999 V2000 -1.3166 -1.5477 -0.0002 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7713 0.2707 0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1804 1.0406 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 0.6094 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -0.7778 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5302 -1.3737 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 0.0312 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 0.8512 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -0.5468 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4203 2.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 2.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 -2.4528 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 1.4766 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 -0.9889 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > DB11496 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YXIWHUQXZSMYRE-UHFFFAOYSA-N/SDF?record_type=3d > S=C1NC2=C(S1)C=CC=C2 > InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) > YXIWHUQXZSMYRE-UHFFFAOYSA-N > C7H5NS2 > 167.251 > 166.986340545 > 1 > 15 > -0.9995719991292268 > 16.888767164331263 > 1 > 1 > 0 > 0 > 2,3-dihydro-1,3-benzothiazole-2-thione > 2.26 > 2.879384047333333 > -3.15 > 0 > -1 > 2 > -1 > 3.6316298719058793 > -2.162116074374314 > 12.03 > 50.69840000000001 > 0 > 1 > 1.18e-01 g/l > biotin > 1 $$$$