1.0 2010-04-08 22:14:37 UTC 2015-07-21 06:39:09 UTC FDB019848 Dihydro-5-methyl-2(3H)-thiophenone Maillard product 4-Mercaptopentanoic acid g-lactone 5-Methyl-g-thiobutyrolactone C5H8OS 116.181 116.029585568 5-methylthiolan-2-one 5-methylthiolan-2-one 5650-74-8 CC1CCC(=O)S1 InChI=1S/C5H8OS/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3 BNHNVGAUODLKKT-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 Carbonyl compounds Carbothioic S-lactones Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Thioesters Thiolactones Aliphatic heteromonocyclic compound Carbonyl group Carbothioic s-lactone Carboxylic acid derivative Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Thiolactone Thiolane logp 1.37 ALOGPS logs -0.93 ALOGPS solubility 1.36e+01 g/l ALOGPS logp 1.11 ChemAxon pka_strongest_basic -6.1 ChemAxon iupac 5-methylthiolan-2-one ChemAxon average_mass 116.181 ChemAxon mono_mass 116.029585568 ChemAxon smiles CC1CCC(=O)S1 ChemAxon formula C5H8OS ChemAxon inchi InChI=1S/C5H8OS/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3 ChemAxon inchikey BNHNVGAUODLKKT-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 31.12 ChemAxon polarizability 12.04 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15756 Specdb::CMs 132115 Specdb::CMs 139849 Specdb::MsIr 8696 Specdb::MsIr 8697 Specdb::MsMs 300937 Specdb::MsMs 300938 Specdb::MsMs 300939 Specdb::MsMs 343327 Specdb::MsMs 343328 Specdb::MsMs 343329 Specdb::MsMs 3057446 Specdb::MsMs 3057447 Specdb::MsMs 3057448 Specdb::MsMs 3113774 Specdb::MsMs 3113775 Specdb::MsMs 3113776 Specdb::NmrOneD 38622 Specdb::NmrOneD 38623 Specdb::NmrOneD 38624 Specdb::NmrOneD 38625 Specdb::NmrOneD 38626 Specdb::NmrOneD 38627 Specdb::NmrOneD 38628 Specdb::NmrOneD 38629 Specdb::NmrOneD 38630 Specdb::NmrOneD 38631 Specdb::NmrOneD 38632 Specdb::NmrOneD 38633 Specdb::NmrOneD 38634 Specdb::NmrOneD 38635 Specdb::NmrOneD 38636 Specdb::NmrOneD 38637 Specdb::NmrOneD 38638 Specdb::NmrOneD 38639 Specdb::NmrOneD 38640 Specdb::NmrOneD 38641 HMDB40150 #<Reference:0x000055ce320ef690>