31347 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 5 5 5 6 6 6 7 7 2 3 4 5 7 8 9 6 10 11 7 12 13 14 15 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2.809 3.3968 2.2212 2 3.618 3.309 2.309 1.69 1.4336 4.1844 3.928 3.2442 3.9155 1.7026 2.3738 0.3649 1.1739 1.1739 -0.2229 -0.2229 -1.1739 -1.1739 0.3141 -0.475 -0.475 0.3141 -1.7905 -1.3028 -1.3028 -1.7905 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 128 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C060300040000000000000000000000000012000000000000000000000000000000000180400000000080084400080000000000A0000000000704000000000100000000000000000002000000000000000002000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 thiolane 1,1-dioxide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 thiolane 1,1-dioxide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 thiolane 1,1-dioxide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 thiolane 1,1-dioxide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfolane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HXJUTPCZVOIRIF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.0245 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H8O2S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.17012 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCS(=O)(=O)C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCS(=O)(=O)C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 42.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 120.0245 7 0 0 0 0 0 0 0 1 1