Mrv1533004251503542D 11 10 0 0 0 0 999 V2000 4.1250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -2.1434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.0000 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 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 2 0 0 0 0 M END > NP0239427 > NP-MRD > CS(=O)(=O)CCCCN=C=S > InChI=1S/C6H11NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h2-5H2,1H3 > WNCZPWWLBZOFJL-UHFFFAOYSA-N > C6H11NO2S2 > 193.28 > 193.023120946 > 3 > 22 > 19.912356343193494 > 1 > 0 > 0 > 1 > 1-isothiocyanato-4-methanesulfonylbutane > 1.57 > 0.32666499500000024 > -2.62 > 0 > 0 > 0 > -3.817833089504759 > 46.5 > 49.320100000000004 > 5 > 1 > 4.63e-01 g/l > 1-isothiocyanato-4-methanesulfonylbutane > 0 > NP0239427 > 1-isothiocyanato-4-methanesulfonylbutane $$$$