1.0 2010-04-08 22:11:00 UTC 2018-05-29 01:08:51 UTC FDB013955 Bis(m-methanethiolato)tetranitrosyldiiron Isolated from pickled vegetables consumed in Linxian, China Bis(m-(methanethiolato))tetranitrosodIIron Bis(m-methylthio)tetranitrosyldiiron Bis(methanethiolato)tetranitrosyldi-iron Bis(mu-(methanethiolato))tetranitrosyldi-iron Iron, bis(methanethiolato)tetranitrosyldi- Iron, bis(mu-(methanethiolato))tetranitrosyldi- Roussin red methyl ester Roussin's red Roussin's red methyl ester C2H6Fe2N4O4S2 325.913 325.852930346 16071-96-8 C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1 KFULJHPUIROTDJ-UHFFFAOYSA-N belongs to the class of organic compounds known as metalloheterocyclic compounds. These are heterocyclic compounds contain one metal ring atom. Metalloheterocyclic compounds Organic compounds Organoheterocyclic compounds Metalloheterocyclic compounds Aliphatic heteropolycyclic compounds Hydrocarbon derivatives Organic nitrogen compounds Organic oxides Organic transition metal salts Organosulfur compounds Aliphatic heteropolycyclic compound Hydrocarbon derivative Metalloheterocycle Organic metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic transition metal salt Organosulfur compound logp 1.53 ALOGPS logs -2.90 ALOGPS solubility 4.12e-01 g/l ALOGPS melting_point Mp 92-93° (88-89°) average_mass 325.913 ChemAxon mono_mass 325.852930346 ChemAxon smiles C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O ChemAxon formula C2H6Fe2N4O4S2 ChemAxon inchi InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1 ChemAxon inchikey KFULJHPUIROTDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 117.72 ChemAxon refractivity 48.03 ChemAxon polarizability 22.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17862 Specdb::CMs 170165 Specdb::MsMs 110013 Specdb::MsMs 110014 Specdb::MsMs 110015 Specdb::MsMs 177588 Specdb::MsMs 177589 Specdb::MsMs 177590 Specdb::MsMs 2724491 Specdb::MsMs 2724492 Specdb::MsMs 2724493 Specdb::MsMs 2957016 Specdb::MsMs 2957017 Specdb::MsMs 2957018 HMDB35290 #<Reference:0x000055ce3291b3c8>