1-(methylsulfanyl)-4-aci-nitrobutane

Properties Image MNX_ID MNXM1104979 reference metacycM:CPD-12389 formula C5H11NO2S global charge 0 mol weight 149.215 InChIKey KZCTZQMFYMYSGR-UHFFFAOYSA-N InChI InChI=1S/C5H11NO2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3,(H,7,8) SMILES CSCCC/C=[N+](\[O-])O MNX internals InChI (mnx) InChI=1/C5H11NO2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3,(H,7,8) SMILES (mnx) [CH3:1][S:9][CH2:5][CH2:3][CH2:2][CH:4]=[N+:6]([O-:7])[OH:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0