737312 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 16 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 6 7 7 8 8 9 9 10 5 4 5 7 5 6 14 6 8 11 9 12 10 13 10 15 16 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 4.9889 3.732 5.2619 3.732 4.6783 4.6783 2.866 2.866 2 2 4.8709 2.866 2.866 5.8819 1.4631 1.4631 -1.3776 -0.1224 0.3776 0.8776 -0.4271 1.1824 -0.6224 1.3776 -0.1224 0.8776 1.7717 -1.2424 1.9976 0.3776 -0.4324 1.1876 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 7 8 9 4 5 7 5 6 6 8 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 263 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037180630000400000000000000000000000000100000000200000000000000040000000001C04100000000808C10004010003C000008400244640008000000002090808800800008800000001000000000800020080000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2H-imidazo[1,5-a]pyridine-3-thione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2H-imidazo[1,5-a]pyridine-3-thione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2<I>H</I>-imidazo[1,5-a]pyridine-3-thione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2H-imidazo[1,5-a]pyridine-3-thione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2H-imidazo[1,5-a]pyridine-3-thione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2H-imidazo[1,5-a]pyridine-3-thione InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C7H6N2S/c10-7-8-5-6-3-1-2-4-9(6)7/h1-5H,(H,8,10) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IPOYUTJDAMAUNH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.02516937 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C7H6N2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=CNC(=S)N2C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=CNC(=S)N2C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.02516937 10 0 0 0 0 0 0 0 1 -1