781 1 2 3 4 16 7 6 1 1 1 2 3 4 3 1 1 3 1 5 255 1 2 3 4 3.732 2 2.866 4.269 0.5 -0.5 0 0.19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.3 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 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 00000371000200004000000000000000000000000000000000000000000000000000000000000004040000000000000000000000000000041000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiocyanic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiocyanic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiocyanic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiocyanic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiocyanic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiocyanic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CHNS/c2-1-3/h3H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZMZDMBWJUHKJPS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 58.98297021 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CHNS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 59.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#N)S SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(#N)S Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 58.98297021 3 0 0 0 0 0 0 0 1 -1