1.0 2010-04-08 22:13:25 UTC 2025-11-19 02:07:08 UTC FDB017960 Cyclobrassinin sulfoxide Isolated from leaves of brown mustard Brassica juncea (Cruciferae). Cyclobrassinin sulfoxide is found in brassicas. 4,9-Dihydro-2-(methylsulfinyl)-1,3-thiazino[6,5-b]indole, 9CI Cyclobrassinin sulfoxide C11H10N2OS2 250.34 250.023454332 2-methanesulfinyl-4H,9H-[1,3]thiazino[6,5-b]indole 2-methanesulfinyl-4H,9H-[1,3]thiazino[6,5-b]indole 128722-96-3 CS(=O)C1=NCC2=C(NC3=CC=CC=C23)S1 InChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3 YUXKTUVIOWXKPA-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aryl thioethers Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrroles Sulfinyl compounds Sulfoxides 3-alkylindole Aromatic heteropolycyclic compound Aryl thioether Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrrole Sulfinyl compound Sulfoxide logp 1.77 ALOGPS logs -2.15 ALOGPS solubility 1.75e+00 g/l ALOGPS melting_point Mp 188-190° logp 1.74 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic 1.3 ChemAxon iupac 2-methanesulfinyl-4H,9H-[1,3]thiazino[6,5-b]indole ChemAxon average_mass 250.34 ChemAxon mono_mass 250.023454332 ChemAxon smiles CS(=O)C1=NCC2=C(NC3=CC=CC=C23)S1 ChemAxon formula C11H10N2OS2 ChemAxon inchi InChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3 ChemAxon inchikey YUXKTUVIOWXKPA-UHFFFAOYSA-N ChemAxon polar_surface_area 45.22 ChemAxon refractivity 69 ChemAxon polarizability 25.94 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9975 Specdb::CMs 134733 Specdb::CMs 142467 Specdb::MsMs 12086 Specdb::MsMs 12087 Specdb::MsMs 12088 Specdb::MsMs 18758 Specdb::MsMs 18759 Specdb::MsMs 18760 Specdb::MsMs 2451280 Specdb::MsMs 2451281 Specdb::MsMs 2451282 Specdb::MsMs 2487711 Specdb::MsMs 2487712 Specdb::MsMs 2487713 HMDB38570 #<Reference:0x000055ce3206fc10> Brassicas Unknown generic 3705