68982 1 2 3 4 5 6 16 16 16 6 1 1 1 1 2 2 3 4 5 4 6 4 1 1 1 1 2 1 5 255 1 2 3 4 5 6 4.269 2.5369 3.403 3.403 4.8059 2 0.75 0.75 -0.75 0.25 0.44 0.44 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000000006000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000040400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonotrithioic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonotrithioic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonotrithioic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonotrithioic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonotrithioic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonotrithioic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HIZCIEIDIFGZSS-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 2021.10.14 109.93186358 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH2S3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=S)(S)S SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=S)(S)S Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 109.93186358 4 0 0 0 0 0 0 0 1 -1