1.0 2019-10-15 22:58:20 UTC 2019-10-15 22:58:20 UTC FDB093668 Allyl methyl sulfone C4H8O2S 120.17 120.024500672 3-methanesulfonylprop-1-ene 3-methanesulfonylprop-1-ene CS(=O)(=O)CC=C InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3 WOPDMJYIAAXDMN-UHFFFAOYSA-N belongs to the class of organic compounds known as sulfones. Sulfones are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms. Sulfones Organic compounds Organosulfur compounds Sulfonyls Sulfones Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic oxide Organic oxygen compound Sulfone logp 0.00 ALOGPS logs -1.08 ALOGPS solubility 1.01e+01 g/l ALOGPS logp -0.42 ChemAxon pka_strongest_acidic 16.86 ChemAxon iupac 3-methanesulfonylprop-1-ene ChemAxon average_mass 120.17 ChemAxon mono_mass 120.024500672 ChemAxon smiles CS(=O)(=O)CC=C ChemAxon formula C4H8O2S ChemAxon inchi InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3 ChemAxon inchikey WOPDMJYIAAXDMN-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 29.61 ChemAxon polarizability 11.66 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 10672 Specdb::MsIr 10673 Specdb::CMs 59607 Specdb::CMs 152362 Specdb::NmrOneD 70812 Specdb::NmrOneD 70813 Specdb::NmrOneD 70814 Specdb::NmrOneD 70815 Specdb::NmrOneD 70816 Specdb::NmrOneD 70817 Specdb::NmrOneD 70818 Specdb::NmrOneD 70819 Specdb::NmrOneD 70820 Specdb::NmrOneD 70821 Specdb::NmrOneD 70822 Specdb::NmrOneD 70823 Specdb::NmrOneD 70824 Specdb::NmrOneD 70825 Specdb::NmrOneD 70826 Specdb::NmrOneD 70827 Specdb::NmrOneD 70828 Specdb::NmrOneD 70829 Specdb::NmrOneD 70830 Specdb::NmrOneD 70831 Specdb::MsMs 1240435 Specdb::MsMs 1240436 Specdb::MsMs 1240437 Specdb::MsMs 1355857 Specdb::MsMs 1355858 Specdb::MsMs 1355859 Specdb::MsMs 2743549 Specdb::MsMs 2743550 Specdb::MsMs 2743551 Specdb::MsMs 2935943 Specdb::MsMs 2935944 Specdb::MsMs 2935945 FOBI:030683