Mrv1533004241513482D 16 17 0 0 0 0 999 V2000 1.2564 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -2.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -2.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -1.4901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -4.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -3.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 -4.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 -4.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 -3.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 -4.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -2.9422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 16 1 0 0 0 0 7 16 1 0 0 0 0 M END > NP0290024 > NP-MRD > CC1=CC=C(S1)C1=CC=C(S1)C#CCCO > InChI=1S/C13H12OS2/c1-10-5-7-12(15-10)13-8-6-11(16-13)4-2-3-9-14/h5-8,14H,3,9H2,1H3 > ADQMFRWVCORNJP-UHFFFAOYSA-N > C13H12OS2 > 248.36 > 248.032957354 > 1 > 28 > 28.11714839280619 > 1 > 1 > 0 > 1 > 4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]but-3-yn-1-ol > 4.01 > 3.9482229189999996 > -4.05 > 0 > 2 > 0 > 15.578786999134838 > -2.545638566578421 > 20.23 > 67.0172 > 4 > 1 > 2.22e-02 g/l > 4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]but-3-yn-1-ol > 1 > NP0290024 > 4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-1-ol $$$$