Mrv1533004191521062D 11 10 0 0 0 0 999 V2000 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.5559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 1.3184 0.0000 N 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 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M END > NP0277906 > NP-MRD > CSCCCCCNC(N)=S > InChI=1S/C7H16N2S2/c1-11-6-4-2-3-5-9-7(8)10/h2-6H2,1H3,(H3,8,9,10) > ZZFWHYVLVJMUBK-UHFFFAOYSA-N > C7H16N2S2 > 192.34 > 192.075490871 > 0 > 27 > 22.700588345813006 > 1 > 2 > 0 > 1 > [5-(methylsulfanyl)pentyl]thiourea > 1.44 > 1.7198794573333336 > -3.40 > 0 > 0 > 0 > 18.459287827785786 > 14.777763758264108 > 38.05 > 57.113099999999996 > 6 > 1 > 7.59e-02 g/l > 5-(methylsulfanyl)pentylthiourea > 1 > NP0277906 > n-[5-(methylsulfanyl)pentyl]carbamimidothioic acid $$$$