6498 1 2 3 4 5 6 7 8 9 10 11 12 13 16 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 4 4 4 5 5 5 6 6 7 2 3 4 5 6 8 9 7 10 11 7 12 13 2 2 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 2.809 2.2212 3.3968 2 3.618 2.309 3.309 1.4336 1.69 3.928 4.1844 1.9446 3.6734 -0.3649 -1.1739 -1.1739 0.2229 0.2229 1.1739 1.1739 0.475 -0.3141 -0.3141 0.475 1.6755 1.6755 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 156 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003718060300040000000000000000000000000010000000000000000000000000000000000180400000000080084400080000000000A8000204200704000000000100808000000000000000001000000000000002000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-dihydrothiophene 1,1-dioxide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-dihydrothiophene 1,1-dioxide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-dihydrothiophene 1,1-dioxide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-dihydrothiophene 1,1-dioxide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-dihydrothiophene 1,1-dioxide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-dihydrothiophene 1,1-dioxide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MBDNRNMVTZADMQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 118.00885060 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H6O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 118.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C=CCS1(=O)=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C=CCS1(=O)=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 118.00885060 7 0 0 0 0 0 0 0 1 -1