1567 1 2 3 4 5 6 7 8 9 10 16 8 6 6 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 3 9 4 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.5369 5.135 3.403 4.269 3.0044 3.8015 4.6675 3.8705 2 5.672 0.25 -0.25 -0.25 0.25 -0.7249 -0.7249 0.7249 0.7249 -0.06 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 10 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037180402000400000000000000000000000000000000000000000000000000000000000001A04000800000000A4C0028000000002040000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-sulfanylethanol IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-mercaptoethanol IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-sulfanylethanol IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-sulfanylethanol IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-mercaptoethanol InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2 InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 DGVVWUTYPXICAM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -0.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 78.013936 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H6OS Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 78.13344 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(CS)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(CS)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 21.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 78.013936 4 0 0 0 0 0 0 0 1 1