1201546 1 2 3 4 5 6 7 8 9 10 16 16 8 7 6 6 6 1 1 1 1 1 2 3 4 4 4 5 5 5 5 7 7 6 6 7 10 6 8 9 1 1 2 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 4.2601 5.5202 2 3.7601 3.2601 2.9511 4.5691 3.3249 2.6536 3.7601 1.0794 -0.1807 -0.1807 -0.4594 1.0794 0.1284 0.1284 1.696 1.2083 -1.0794 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 122 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0000037100422000600000000000000000000000000160000000000000000000000000000000001E0410000000000085C000800002C000080C00011010000000004000190000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-thioxothiazolidin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-sulfanylidene-4-thiazolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-sulfanylidene-1,3-thiazolidin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-sulfanylidene-1,3-thiazolidin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-sulfanylidene-1,3-thiazolidin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 rhodanine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KIWUVOGUEXMXSV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.96560607 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H3NOS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 133.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(=O)NC(=S)S1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(=O)NC(=S)S1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.96560607 7 0 0 0 0 0 0 0 1 -1