11062317 1 2 3 4 5 16 16 6 6 6 1 2 3 3 4 5 4 5 2 2 2 2 1 5 255 1 2 3 4 5 5.4641 2 3.732 4.5981 2.866 1 -1 0 0.5 -0.5 0 Compound Canonicalized 5 2019.01.04 0 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 91.3 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 00000371004000006000000000000000000000000000000000000000000000000000000000000008040000000008000040000000000000008400004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3S2/c4-2-1-3-5 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RMCQREAPGZPWGK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 99.94414235 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 100.17 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=C=S)=C=S SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=C=S)=C=S Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 99.94414235 5 0 0 0 0 0 0 0 1 -1