14823 1 2 3 42 16 16 1 1 2 3 2 2 1 5 255 1 2 3 2.866 3.732 2 0 0.5 -0.5 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 18.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000000006000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 dithioxomolybdenum IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 bis(sulfanylidene)molybdenum IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 bis(sulfanylidene)molybdenum IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 bis(sulfanylidene)molybdenum IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 dithioxomolybdenum InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/Mo.2S InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 CWQXQMHSOZUFJS-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 161.84955 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 MoS2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 160.09 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 S=[Mo]=S SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 S=[Mo]=S Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 64.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 161.84955 3 0 0 0 0 0 0 0 1 1