445626 1 2 3 4 5 6 7 8 9 42 16 8 8 1 1 1 1 1 2 -1 1 1 1 2 3 3 4 4 2 3 4 9 5 6 7 8 6 6 6 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 3.403 4.269 2.5369 3.403 2 2.5369 3.9399 2.866 4.8059 0.095 0.595 0.595 -0.905 0.285 1.215 -1.215 -1.215 0.285 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371800030004000000000400000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 molybdenum;sulfanide;dihydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 molybdenum;sulfanide;dihydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 molybdenum;sulfanide;dihydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 molybdenum;sulfanide;dihydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 molybdenum;sulfanide;dihydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 molybdenum;bisulfide;dihydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/Mo.2H2O.H2S/h;3*1H2/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JCFOKJHOVYCJPS-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.906429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 H5MoO2S- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 165.06 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 O.O.[SH-].[Mo] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 O.O.[SH-].[Mo] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.906429 4 0 0 0 0 0 0 0 4 -1