1.0 2010-04-08 22:11:29 UTC 2019-11-26 03:10:47 UTC FDB014805 2-(Methylthio)-3H-phenoxazin-3-one Isolated from cultures of the mushroom Calocybe gambosa (St George's mushroom). 2-(Methylthio)-3H-phenoxazin-3-one is found in mushrooms. C13H9NO2S 243.281 243.035399227 2-(methylsulfanyl)-3H-phenoxazin-3-one 2-(methylsulfanyl)phenoxazin-3-one 115695-20-0 CSC1=CC2=NC3=CC=CC=C3OC2=CC1=O InChI=1S/C13H9NO2S/c1-17-13-6-9-12(7-10(13)15)16-11-5-3-2-4-8(11)14-9/h2-7H,1H3 XSOVEYYOJRSJQH-UHFFFAOYSA-N belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring. Phenoxazines Organic compounds Organoheterocyclic compounds Benzoxazines Phenoxazines Aromatic heteropolycyclic compounds Alkylarylthioethers Azacyclic compounds Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Sulfenyl compounds Thiophenol ethers Alkylarylthioether Aromatic heteropolycyclic compound Aryl thioether Azacycle Benzenoid Cyclic ketone Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Oxacycle Phenoxazine Sulfenyl compound Thioether Thiophenol ether logp 2.43 ALOGPS logs -3.21 ALOGPS solubility 1.51e-01 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-(methylsulfanyl)-3H-phenoxazin-3-one ChemAxon average_mass 243.281 ChemAxon mono_mass 243.035399227 ChemAxon smiles CSC1=CC2=NC3=CC=CC=C3OC2=CC1=O ChemAxon formula C13H9NO2S ChemAxon inchi InChI=1S/C13H9NO2S/c1-17-13-6-9-12(7-10(13)15)16-11-5-3-2-4-8(11)14-9/h2-7H,1H3 ChemAxon inchikey XSOVEYYOJRSJQH-UHFFFAOYSA-N ChemAxon polar_surface_area 38.66 ChemAxon refractivity 72.69 ChemAxon polarizability 25.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14006 Specdb::CMs 161349 Specdb::MsMs 54753 Specdb::MsMs 54754 Specdb::MsMs 54755 Specdb::MsMs 124695 Specdb::MsMs 124696 Specdb::MsMs 124697 Specdb::MsMs 2321188 Specdb::MsMs 2321189 Specdb::MsMs 2321190 Specdb::MsMs 2614393 Specdb::MsMs 2614394 Specdb::MsMs 2614395 HMDB35996 #<Reference:0x000055ce32ad51f0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322