1.0 2010-04-08 22:09:15 UTC 2025-11-18 23:21:36 UTC FDB010706 S-Methyl 2-propene-1-sulfinothioate Constituent of Allium subspecies S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables. S-Methyl 2-propene-1-sulfinothioate C4H8OS2 136.236 136.001656258 [(prop-2-ene-1-sulfinyl)sulfanyl]methane [(prop-2-ene-1-sulfinyl)sulfanyl]methane 3736-98-9 CSS(=O)CC=C InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3H,1,4H2,2H3 ZIMQNNOENLFVMT-UHFFFAOYSA-N belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=alkyl, aryl). Thiosulfinic acid esters Organic compounds Organic acids and derivatives Thiosulfinic acid esters Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organosulfur compound Sulfenyl compound Sulfinyl compound Thiosulfinic acid ester logp 0.22 ALOGPS logs -0.73 ALOGPS solubility 2.53e+01 g/l ALOGPS logp 1.32 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac [(prop-2-ene-1-sulfinyl)sulfanyl]methane ChemAxon average_mass 136.236 ChemAxon mono_mass 136.001656258 ChemAxon smiles CSS(=O)CC=C ChemAxon formula C4H8OS2 ChemAxon inchi InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3H,1,4H2,2H3 ChemAxon inchikey ZIMQNNOENLFVMT-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 35.8 ChemAxon polarizability 13.64 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13589 Specdb::CMs 173022 Specdb::MsIr 5705 Specdb::MsIr 5706 Specdb::MsMs 106878 Specdb::MsMs 106879 Specdb::MsMs 106880 Specdb::MsMs 173724 Specdb::MsMs 173725 Specdb::MsMs 173726 Specdb::MsMs 2432092 Specdb::MsMs 2432093 Specdb::MsMs 2432094 Specdb::MsMs 2503556 Specdb::MsMs 2503557 Specdb::MsMs 2503558 Specdb::NmrOneD 114798 Specdb::NmrOneD 114799 Specdb::NmrOneD 114800 Specdb::NmrOneD 114801 Specdb::NmrOneD 114802 Specdb::NmrOneD 114803 Specdb::NmrOneD 114804 Specdb::NmrOneD 114805 Specdb::NmrOneD 114806 Specdb::NmrOneD 114807 Specdb::NmrOneD 114808 Specdb::NmrOneD 114809 Specdb::NmrOneD 114810 Specdb::NmrOneD 114811 Specdb::NmrOneD 114812 Specdb::NmrOneD 114813 Specdb::NmrOneD 114814 Specdb::NmrOneD 114815 Specdb::NmrOneD 114816 Specdb::NmrOneD 114817 HMDB32744 #<Reference:0x000055ce30599ad0> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875