6058 1 2 3 4 5 6 7 8 9 10 11 16 7 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 11 3 9 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.5369 5.135 4.269 3.403 4.6675 3.8705 3.0044 3.8015 5.672 5.135 2 0.56 0.06 0.56 0.06 1.035 1.035 -0.4149 -0.4149 0.37 -0.56 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 10 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180420000400000000000000000000000000000000000000000000000000000000000001C04100000000000C540048000004000040000000000000000000000000000800000000000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanethiol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanethiol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanethiol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanethiol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanylethanethiol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethanethiol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UFULAYFCSOUIOV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.02992040 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H7NS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CS)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CS)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 77.02992040 4 0 0 0 0 0 0 0 1 -1