1.0 2010-04-08 22:13:19 UTC 2019-11-26 03:15:15 UTC FDB017797 (-)-5-(2-Propenyl)-2-oxazolidinethione Isolated from rape (Brassica napus) leaves and stems. (-)-5-(2-Propenyl)-2-oxazolidinethione is found in brassicas. CQP isoquinoline-5-sulfonamide 48 C6H9NOS 143.207 143.040484605 5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione 5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione 15216-29-2 C=CCC1CNC(=S)O1 InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9) QEKDLBSHZCJKRO-UHFFFAOYSA-N belongs to the class of organic compounds known as oxazolidines. Oxazolidines are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds. Oxazolidines Organic compounds Organoheterocyclic compounds Azolidines Oxazolidines Aliphatic heteromonocyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Thiocarbamic acid esters Aliphatic heteromonocyclic compound Azacycle Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Oxacycle Oxazolidine Thiocarbamic acid derivative Thiocarbamic acid ester logp 0.44 ALOGPS logs -1.92 ALOGPS solubility 1.71e+00 g/l ALOGPS melting_point Mp 60-61° logp 1.61 ChemAxon pka_strongest_acidic 8.72 ChemAxon iupac 5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione ChemAxon average_mass 143.207 ChemAxon mono_mass 143.040484605 ChemAxon smiles C=CCC1CNC(=S)O1 ChemAxon formula C6H9NOS ChemAxon inchi InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9) ChemAxon inchikey QEKDLBSHZCJKRO-UHFFFAOYSA-N ChemAxon polar_surface_area 21.26 ChemAxon refractivity 40.6 ChemAxon polarizability 15.12 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11988 Specdb::CMs 172927 Specdb::MsIr 7930 Specdb::MsIr 7931 Specdb::MsIr 7932 Specdb::MsMs 84057 Specdb::MsMs 84058 Specdb::MsMs 84059 Specdb::MsMs 145809 Specdb::MsMs 145810 Specdb::MsMs 145811 Specdb::MsMs 2343159 Specdb::MsMs 2343160 Specdb::MsMs 2343161 Specdb::MsMs 2596252 Specdb::MsMs 2596253 Specdb::MsMs 2596254 Specdb::NmrOneD 26662 Specdb::NmrOneD 26663 Specdb::NmrOneD 26664 Specdb::NmrOneD 26665 Specdb::NmrOneD 26666 Specdb::NmrOneD 26667 Specdb::NmrOneD 26668 Specdb::NmrOneD 26669 Specdb::NmrOneD 26670 Specdb::NmrOneD 26671 Specdb::NmrOneD 26672 Specdb::NmrOneD 26673 Specdb::NmrOneD 26674 Specdb::NmrOneD 26675 Specdb::NmrOneD 26676 Specdb::NmrOneD 26677 Specdb::NmrOneD 26678 Specdb::NmrOneD 26679 Specdb::NmrOneD 26680 Specdb::NmrOneD 26681 HMDB38439 #<Reference:0x000055ce31a65f68> Brassicas Unknown generic 3705