3034316 1 2 3 4 5 6 7 8 9 16 16 16 7 7 6 6 1 1 1 1 2 3 4 4 4 5 5 5 7 6 7 6 7 8 6 9 1 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 3.2601 5.5202 2 3.7601 4.2601 4.5691 2.9511 3.7601 4.6245 0.8286 -0.4314 -0.4314 -0.7102 0.8286 -0.1224 -0.1224 -1.3302 1.3302 8 8 8 8 8 1 1 4 4 5 5 7 6 7 6 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 120 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037100430000600000000000000000000000000160000000000000000000000000000000000404104000000000000000010002C000000400000000000000000000090000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2,4-thiadiazolidine-3,5-dithione IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2,4-thiadiazolidine-3,5-dithione IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2,4-thiadiazolidine-3,5-dithione IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2,4-thiadiazolidine-3,5-dithione IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2,4-thiadiazolidine-3,5-dithione InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H2N2S3/c5-1-3-2(6)7-4-1/h(H2,3,4,5,6) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 OTNSJAUBOYWVEB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 149.938011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H2N2S3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 150.24568 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1(=S)NC(=S)SN1 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1(=S)NC(=S)SN1 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 114 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 149.938011 7 0 0 0 0 0 0 0 1 5