Mrv0541 02241220552D 8 7 0 0 0 0 999 V2000 1.0461 -2.2539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -1.8414 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 3.1895 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 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 M END > NP0046432 > NP-MRD > CSCCCCC#N > InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3 > XPUDGEZWSNPCMM-UHFFFAOYSA-N > C6H11NS > 129.223 > 129.061220047 > 1 > 15.266090315251617 > 1 > 0 > 0 > 0 > 5-(methylsulfanyl)pentanenitrile > 1.89 > 1.625976318666667 > -1.80 > 0 > 0 > 0 > 23.79 > 38.0602 > 4 > 1 > 2.06e+00 g/l > 5-(methylsulfanyl)pentanenitrile > 1 > NP0046432 > 5-(Methylthio)-pentanonitrile $$$$