107812 1 2 3 4 5 6 7 8 9 10 11 12 13 16 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 2 4 4 4 5 5 5 6 6 2 3 5 13 6 11 12 6 7 8 9 10 1 2 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 3.403 2.5369 3.403 6.001 4.269 5.135 4.6675 3.8705 4.7365 5.5335 6.538 6.001 2 -0.06 0.44 -1.06 0.44 0.44 -0.06 0.9149 0.9149 -0.5349 -0.5349 0.13 1.06 0.13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180423000400000000000000000000000000000000000000000000000000000000000001C04100800000000C540048000004000820000000000604000000000000000800000000000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanesulfinic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanesulfinic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanesulfinic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanesulfinic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanylethanesulfinic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanesulfinic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VVIUBCNYACGLLV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 109.01974964 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H7NO2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 109.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CS(=O)O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CS(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 109.01974964 6 0 0 0 0 0 0 0 1 -1