11344401 1 2 3 4 5 6 7 8 9 10 11 16 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 6 5 6 3 4 7 5 8 6 9 10 11 2 1 2 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.866 2.866 2 3.732 2 3.732 2.866 1.4631 4.269 1.4631 4.269 -1 1 0.5 0.5 -0.5 -0.5 1.62 0.81 0.81 -0.81 -0.81 8 8 8 8 8 8 1 1 2 2 3 4 5 6 3 4 5 6 1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 30.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 0000037180600000400000000000000000000000000000000000240000000000000000018000001804000000000800845000B00180000008840020420000030080200810488818000088082022A011108020002080002888060000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiopyrylium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 thiopyrylium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 thiopyrylium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 thiopyrylium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 thiopyrylium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiopyrylium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H5S/c1-2-4-6-5-3-1/h1-5H/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OKYDCMQQLGECPI-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 97.01119633 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H5S+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 97.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=[S+]C=C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=[S+]C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 28.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 97.01119633 6 0 0 0 0 0 0 0 1 -1