321537 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 16 14 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 10 10 10 11 11 11 12 12 12 8 9 4 5 6 7 9 9 13 14 21 22 23 18 19 20 15 16 17 10 11 12 30 31 32 27 28 29 24 25 26 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 5.4641 2.866 4.5981 3.732 2 2.366 3.366 6.3301 4.5981 7.1962 6.8301 5.8301 4.1306 3.3335 2.8291 3.676 3.903 2.903 2.056 1.8291 1.69 1.4631 2.31 5.2932 5.5201 6.3671 7.3671 7.1401 6.2932 6.8862 7.7331 7.5062 0.567 0.067 -0.933 0.567 -0.433 0.933 -0.799 0.067 0.067 -0.433 0.933 -0.799 1.0419 1.0419 -1.109 -1.336 -0.489 1.243 1.47 0.623 0.1039 -0.743 -0.9699 -0.489 -1.336 -1.109 0.623 1.47 1.243 -0.9699 -0.743 0.1039 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 164 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E0702008400000000000000000000000000000000000000000000000000000000000001A14000000000C0080E0004200000000090800001000000000000000100000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 S-tert-butyl 2-trimethylsilylethanethioate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-trimethylsilylethanethioic acid S-tert-butyl ester IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 S-tert-butyl 2-trimethylsilylethanethioate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 S-tert-butyl 2-trimethylsilylethanethioate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-trimethylsilylethanethioic acid S-tert-butyl ester InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C9H20OSSi/c1-9(2,3)11-8(10)7-12(4,5)6/h7H2,1-6H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 AHVMKODJXXSLEH-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 204.100413 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C9H20OSSi Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 204.405 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC(C)(C)SC(=O)C[Si](C)(C)C SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC(C)(C)SC(=O)C[Si](C)(C)C Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 42.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 204.100413 12 0 0 0 0 0 0 0 1 1