123296 1 2 3 4 35 35 16 16 1 2 3 3 4 4 1 1 1 1 5 255 1 2 3 4 2 4.5981 2.866 3.732 0.25 -0.25 -0.25 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 00000371000000006018000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromosulfanyl thiohypobromite IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiohypobromous acid (bromothio) ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromosulfanyl thiohypobromite IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromosulfanyl thiohypobromite IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromanylsulfanyl thiohypobromite IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiohypobromous acid (bromothio) ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Br2S2/c1-3-4-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JIRDGEGGAWJQHQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 223.77877 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Br2S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 223.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 S(SBr)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 S(SBr)Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.78082 4 0 0 0 0 0 0 0 1 -1