1.0 2010-04-08 22:05:41 UTC 2020-02-24 19:10:41 UTC FDB003175 1-Pentanesulfenothioic acid Constituent of chives (Allium schoenoprasum). 1-Pentanesulfenothioic acid is found in chives and onion-family vegetables. Pentyl hydrodisulfide C5H12S2 136.279 136.038041764 pentane-1-dithioperoxol pentane-1-dithioperoxol 86849-52-7 CCCCCSS InChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3 DPLYGYOSWLFGGY-UHFFFAOYSA-N belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Sulfenyl compounds Organic compounds Organosulfur compounds Sulfenyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Sulfenyl compound logp 2.99 ALOGPS logs -2.75 ALOGPS solubility 2.41e-01 g/l ALOGPS logp 2.94 ChemAxon pka_strongest_acidic 9.46 ChemAxon iupac pentane-1-dithioperoxol ChemAxon average_mass 136.279 ChemAxon mono_mass 136.038041764 ChemAxon smiles CCCCCSS ChemAxon formula C5H12S2 ChemAxon inchi InChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3 ChemAxon inchikey DPLYGYOSWLFGGY-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.58 ChemAxon polarizability 16.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4115 Specdb::MsIr 4116 Specdb::MsIr 4117 Specdb::CMs 16967 Specdb::CMs 26899 Specdb::CMs 100597 Specdb::CMs 159772 Specdb::MsMs 11621 Specdb::MsMs 11622 Specdb::MsMs 11623 Specdb::MsMs 18293 Specdb::MsMs 18294 Specdb::MsMs 18295 Specdb::MsMs 2277434 Specdb::MsMs 2277435 Specdb::MsMs 2277436 Specdb::MsMs 3088384 Specdb::MsMs 3088385 Specdb::MsMs 3088386 HMDB31160 #<Reference:0x000055ce31ed5e18> Chives Type 1 specific Allium schoenoprasum 74900 2500.0 2500.0 2500.0 mg/100 g 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