1.0 2010-04-08 22:14:41 UTC 2015-07-21 06:40:37 UTC FDB019944 1H-Pyrrolo[2,1-c][1,4]thiazine Cysteine-derived Maillard product with a meaty, roasty aroma 1h-pyrrolo[2,1-c]-1,4-thiazine C7H7NS 137.202 137.029919919 1H-pyrrolo[2,1-c][1,4]thiazine 1H-pyrrolo[2,1-c][1,4]thiazine 51568-37-7 C1SC=CN2C=CC=C12 InChI=1S/C7H7NS/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2 LMFZCLWJOUSWGP-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,4-thiazines. These are organic compounds containing 1,4-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 4 respectively, as well as two double bonds. 1,4-thiazines Organic compounds Organoheterocyclic compounds Thiazines 1,4-thiazines Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrroles Thioenol ethers Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Para-thiazine Pyrrole Thioenolether logp 1.53 ALOGPS logs -2.05 ALOGPS solubility 1.24e+00 g/l ALOGPS melting_point Mp 47-48° logp 1.43 ChemAxon iupac 1H-pyrrolo[2,1-c][1,4]thiazine ChemAxon average_mass 137.202 ChemAxon mono_mass 137.029919919 ChemAxon smiles C1SC=CN2C=CC=C12 ChemAxon formula C7H7NS ChemAxon inchi InChI=1S/C7H7NS/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2 ChemAxon inchikey LMFZCLWJOUSWGP-UHFFFAOYSA-N ChemAxon polar_surface_area 4.93 ChemAxon refractivity 40.89 ChemAxon polarizability 14.35 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26366 Specdb::CMs 134054 Specdb::CMs 141788 Specdb::MsIr 8815 Specdb::MsIr 8816 Specdb::MsMs 324442 Specdb::MsMs 324443 Specdb::MsMs 324444 Specdb::MsMs 372853 Specdb::MsMs 372854 Specdb::MsMs 372855 Specdb::MsMs 2472804 Specdb::MsMs 2472805 Specdb::MsMs 2472806 Specdb::MsMs 2490254 Specdb::MsMs 2490255 Specdb::MsMs 2490256 HMDB40229 #<Reference:0x000055ce319f03d0>