9322 1 2 3 16 7 6 1 -1 1 2 3 3 1 3 1 5 255 1 2 3 3.732 2 2.866 0.5 -0.5 0 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 31.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000200004000000000000000000000000000000000000000000000000000000000000004040000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiocyanate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 thiocyanate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 thiocyanate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 thiocyanate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 thiocyanate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiocyanate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CHNS/c2-1-3/h3H/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZMZDMBWJUHKJPS-UHFFFAOYSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 57.97514518 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CNS- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 58.08 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(#N)[S-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(#N)[S-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 24.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 57.97514518 3 0 0 0 0 0 0 0 1 -1