Mrv0541 05061307262D 6 5 0 0 0 0 999 V2000 2.4750 -1.4289 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 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 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 M END > FDB012097 > foodb > CC(C)CCS > InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 > GIJGXNFNUUFEGH-UHFFFAOYSA-N > C5H12S > 104.214 > 104.065971074 > 0 > 13.103151957488802 > 1 > 1 > 0 > 0 > 3-methylbutane-1-thiol > 2.85 > 2.3437104383333334 > -2.23 > 0 > 0 > 0 > 10.198550804630978 > -9.55991162800997 > 0 > 32.7121 > 2 > 1 > 6.17e-01 g/l > isoamylthiol > 1 > FDB012097 > Isopentyl mercaptan $$$$