1.0 2010-04-08 22:14:22 UTC 2015-07-21 06:36:04 UTC FDB019457 cis-2,3-Dimethylthiirane Component of food flavours 2,3-Dimethyl-(2R,3S)-rel-thiirane 2,3-Dimethyl-cis-thiirane 2,3-Dimethylthiirane, 9CI; cis-form cis-2-Butene episulfide cis-2-Butene sulfide cis-2,3-Dimethylepisulfide cis-2,3-Dimethylthiirane cis-Dimethylthiirane Thiirane, 2,3-dimethyl-, (2R,3S)-rel- Thiirane, 2,3-dimethyl-, cis- Z-2,3-Dimethyl-thiirane C4H8S 88.171 88.034670946 (2R,3S)-2,3-dimethylthiirane (2R,3S)-2,3-dimethylthiirane 5954-71-2 C[C@H]1S[C@H]1C InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+ ZMJBHCIEMIVIFZ-ZXZARUISSA-N belongs to the class of organic compounds known as thiiranes. These are heterocyclic compounds containing a saturated three-member ring with two carbon atoms and one sulfur atom. Thiiranes Organic compounds Organoheterocyclic compounds Thiiranes Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Thiirane Thioether logp 1.23 ALOGPS logs -1.51 ALOGPS solubility 2.73e+00 g/l ALOGPS logp 1.31 ChemAxon iupac (2R,3S)-2,3-dimethylthiirane ChemAxon average_mass 88.171 ChemAxon mono_mass 88.034670946 ChemAxon smiles C[C@H]1S[C@H]1C ChemAxon formula C4H8S ChemAxon inchi InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+ ChemAxon inchikey ZMJBHCIEMIVIFZ-ZXZARUISSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 26.11 ChemAxon polarizability 10.15 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14773 Specdb::CMs 167841 Specdb::MsIr 8355 Specdb::MsMs 93711 Specdb::MsMs 93712 Specdb::MsMs 93713 Specdb::MsMs 157533 Specdb::MsMs 157534 Specdb::MsMs 157535 Specdb::MsMs 2380026 Specdb::MsMs 2380027 Specdb::MsMs 2380028 Specdb::MsMs 2559063 Specdb::MsMs 2559064 Specdb::MsMs 2559065 Specdb::NmrOneD 36042 Specdb::NmrOneD 36043 Specdb::NmrOneD 36044 Specdb::NmrOneD 36045 Specdb::NmrOneD 36046 Specdb::NmrOneD 36047 Specdb::NmrOneD 36048 Specdb::NmrOneD 36049 Specdb::NmrOneD 36050 Specdb::NmrOneD 36051 Specdb::NmrOneD 36052 Specdb::NmrOneD 36053 Specdb::NmrOneD 36054 Specdb::NmrOneD 36055 Specdb::NmrOneD 36056 Specdb::NmrOneD 36057 Specdb::NmrOneD 36058 Specdb::NmrOneD 36059 Specdb::NmrOneD 36060 Specdb::NmrOneD 36061 HMDB39807 #<Reference:0x000055ce33572ea0>