1.0 2010-04-08 22:14:39 UTC 2019-11-26 03:18:00 UTC FDB019896 Methanedithiol Component of mushroom and onion flavour. Methanedithiol is found in mushrooms and onion-family vegetables. Dimercaptomethane Dithiomethane CH4S2 80.172 79.975441508 methanedithiol methanedithiol 6725-64-0 SCS InChI=1S/CH4S2/c2-1-3/h2-3H,1H2 INBDPOJZYZJUDA-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative logp 0.55 ALOGPS logs -1.30 ALOGPS solubility 4.06e+00 g/l ALOGPS logp 1.04 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic -9.9 ChemAxon iupac methanedithiol ChemAxon average_mass 80.172 ChemAxon mono_mass 79.975441508 ChemAxon smiles SCS ChemAxon formula CH4S2 ChemAxon inchi InChI=1S/CH4S2/c2-1-3/h2-3H,1H2 ChemAxon inchikey INBDPOJZYZJUDA-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 21.71 ChemAxon polarizability 8.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15479 Specdb::CMs 161965 Specdb::MsMs 11855 Specdb::MsMs 11856 Specdb::MsMs 11857 Specdb::MsMs 18527 Specdb::MsMs 18528 Specdb::MsMs 18529 Specdb::MsMs 2669503 Specdb::MsMs 2669504 Specdb::MsMs 2669505 Specdb::MsMs 3009286 Specdb::MsMs 3009287 Specdb::MsMs 3009288 Specdb::MsIr 8738 Specdb::MsIr 8739 Specdb::MsIr 8740 Specdb::NmrOneD 38862 Specdb::NmrOneD 38863 Specdb::NmrOneD 38864 Specdb::NmrOneD 38865 Specdb::NmrOneD 38866 Specdb::NmrOneD 38867 Specdb::NmrOneD 38868 Specdb::NmrOneD 38869 Specdb::NmrOneD 38870 Specdb::NmrOneD 38871 Specdb::NmrOneD 38872 Specdb::NmrOneD 38873 Specdb::NmrOneD 38874 Specdb::NmrOneD 38875 Specdb::NmrOneD 38876 Specdb::NmrOneD 38877 Specdb::NmrOneD 38878 Specdb::NmrOneD 38879 Specdb::NmrOneD 38880 Specdb::NmrOneD 38881 HMDB40184 #<Reference:0x000055ce32114378> Common mushroom Type 1 specific Agaricus bisporus 5341 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Mushrooms Unknown generic Onion-family vegetables Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875 pungent