HMDB0032019 RDKit 3D 2,6-Dimethylbenzenethiol 19 19 0 0 0 0 0 0 0 0999 V2000 2.3683 0.9246 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 0.0405 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3419 -1.2940 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -2.1241 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 -1.5644 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 -0.2324 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 0.3653 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 0.6015 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 2.3217 0.6529 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 1.7122 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 1.4270 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 0.3021 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 -1.7391 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 -3.1715 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 -2.2145 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 1.3385 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3072 -0.3059 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 0.5262 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 3.0861 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 8 2 1 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 4 14 1 0 5 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 9 19 1 0 M END