1.0 2010-04-08 22:14:42 UTC 2015-07-21 06:40:42 UTC FDB019953 2-Ethyldihydro-3(2H)-thiophenone Cysteine-derived Maillard product 2-Ethyltetrahydrothiophen-3-one 3(2H)-Thiophenone, 2-ethyldihydro- 4,5-dihydro-2-ethylthiophen-3(2H)-one Thiophen-3(2H)-one, 2-ethyl-4,5-dihydro C6H10OS 130.208 130.045235632 2-ethylthiolan-3-one 2-ethylthiolan-3-one 52662-38-1 CCC1SCCC1=O InChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3 KNYBAJCQHFBMOP-UHFFFAOYSA-N belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. Thiolanes Organic compounds Organoheterocyclic compounds Thiolanes Aliphatic heteromonocyclic compounds Cyclic ketones Dialkylthioethers Hydrocarbon derivatives Organic oxides Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Dialkylthioether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Thioether Thiolane logp 1.32 ALOGPS logs -1.33 ALOGPS solubility 6.11e+00 g/l ALOGPS logp 1.65 ChemAxon pka_strongest_acidic 18.51 ChemAxon pka_strongest_basic -7.6 ChemAxon iupac 2-ethylthiolan-3-one ChemAxon average_mass 130.208 ChemAxon mono_mass 130.045235632 ChemAxon smiles CCC1SCCC1=O ChemAxon formula C6H10OS ChemAxon inchi InChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3 ChemAxon inchikey KNYBAJCQHFBMOP-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 35.88 ChemAxon polarizability 14.1 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8827 Specdb::MsIr 8828 Specdb::MsMs 319321 Specdb::MsMs 319322 Specdb::MsMs 319323 Specdb::MsMs 366394 Specdb::MsMs 366395 Specdb::MsMs 366396 Specdb::MsMs 2369669 Specdb::MsMs 2369670 Specdb::MsMs 2369671 Specdb::MsMs 2569046 Specdb::MsMs 2569047 Specdb::MsMs 2569048 Specdb::CMs 24062 Specdb::CMs 170349 Specdb::NmrOneD 39222 Specdb::NmrOneD 39223 Specdb::NmrOneD 39224 Specdb::NmrOneD 39225 Specdb::NmrOneD 39226 Specdb::NmrOneD 39227 Specdb::NmrOneD 39228 Specdb::NmrOneD 39229 Specdb::NmrOneD 39230 Specdb::NmrOneD 39231 Specdb::NmrOneD 39232 Specdb::NmrOneD 39233 Specdb::NmrOneD 39234 Specdb::NmrOneD 39235 Specdb::NmrOneD 39236 Specdb::NmrOneD 39237 Specdb::NmrOneD 39238 Specdb::NmrOneD 39239 Specdb::NmrOneD 39240 Specdb::NmrOneD 39241 HMDB40238 #<Reference:0x000055ce31c39830>