Mrv1533004241512492D 8 7 0 0 0 0 999 V2000 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 2.4750 -0.0000 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 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 2 0 0 0 0 M END > NP0240625 > NP-MRD > CCC(C)CN=C=S > InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3 > MKWQGOSIKKPMLW-UHFFFAOYSA-N > C6H11NS > 129.22 > 129.061220532 > 1 > 19 > 15.127150112488488 > 1 > 0 > 0 > 0 > 1-isothiocyanato-2-methylbutane > 3.50 > 2.7585218950000003 > -2.90 > 0 > 0 > 0 > -2.8569499019651445 > 12.36 > 39.6743 > 3 > 1 > 1.64e-01 g/l > 1-isothiocyanato-2-methylbutane > 1 > NP0240625 > 1-isothiocyanato-2-methylbutane $$$$