574171 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 16 16 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 7 9 9 10 10 11 11 11 12 12 13 14 15 16 16 17 17 18 8 11 15 18 13 6 8 19 7 8 7 9 10 12 20 14 23 13 21 22 14 24 15 25 16 17 26 18 27 28 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 6.2619 9.2564 8.2619 4.6783 4.6783 3.732 3.732 5.2619 2.866 2.866 6.7619 2 7.7619 2 8.2619 7.8551 8.5983 9.4643 4.8709 2.866 6.1793 6.8695 2.866 1.4631 1.4631 7.2487 8.5335 10.0307 0.9603 -0.8762 0.9603 1.7651 0.1556 1.4603 0.4603 0.9603 1.9603 -0.0397 0.0943 1.4603 0.0943 0.4603 -0.7717 -1.6853 -2.3544 -1.8544 2.3544 2.5803 -0.1177 -0.5163 -0.6597 1.7703 0.1503 -1.8142 -2.971 -2.1066 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 6 7 9 10 12 15 16 17 15 18 6 8 7 8 7 9 10 12 14 14 16 17 18 0 Compound Canonicalized 5 2015.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 313 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073200060000000000000000000000000016240000030000000000000005801FC00001E0410000000080C85D600B1D1B6C99008AC01A472640083D2ADE51AB04999393074D88868B2E09D9194210868900268C9A71800000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-thienyl)ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylthio)-1-thiophen-2-ylethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1<I>H</I>-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-ylethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylsulfanyl)-1-thiophen-2-yl-ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1H-benzimidazol-2-ylthio)-1-(2-thienyl)ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H10N2OS2/c16-11(12-6-3-7-17-12)8-18-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HWDJEXQWGYZWTD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.02345529 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H10N2OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 99.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.02345529 18 0 0 0 0 0 0 0 1 -1