HMDB0034890 RDKit 3D Bis(4-isothiocyanatobutyl) disulfide 32 31 0 0 0 0 0 0 0 0999 V2000 7.0898 2.4084 -1.5866 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 1.7877 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7022 1.3998 -0.4267 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5378 0.0253 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 -0.2640 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 -1.6857 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 -2.0812 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -1.0696 1.5248 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1631 0.9398 0.8749 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 1.0360 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 0.7665 0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 0.8099 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 -0.1912 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2728 -0.0435 -1.7047 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2648 0.2294 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 0.8697 -0.0273 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 -0.6446 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -0.0921 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 0.4040 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -0.0960 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3959 -2.4096 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -1.7707 1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -3.1735 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 -2.0220 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 2.0620 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.2725 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 -0.1492 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5343 1.6052 1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 1.8221 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6114 0.5446 0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -0.0526 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 -1.2372 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 2 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 M END