6923912 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 16 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 -1 4 1 1 1 2 3 4 4 4 4 5 5 6 6 6 7 7 8 8 8 10 10 10 5 7 9 9 5 6 12 13 8 11 7 9 14 15 16 10 17 18 19 20 21 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 8 4 11 2 1 6 4 9 7 14 2 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 5.0032 2 2.5352 4.5032 5.3122 3.6942 4.0032 6.2633 2.7431 7.0064 5.7506 4.1388 4.8676 3.5972 4.068 3.3968 5.9722 6.7519 7.4213 7.4672 6.5916 1.1191 0.5282 -1.1191 -0.4197 0.1681 0.1681 1.1191 -0.141 -0.141 0.5282 0.6065 -0.9213 -0.9213 -0.4443 1.7357 1.248 -0.6884 -0.5227 0.0674 0.943 0.9889 5 5 5 6 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 134 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623000400000000000000000000000000160000000000000000000000000000000001E04100000000828C5C004820802C00008080000900800000000400010000081880000020000200020040000001000B000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,4S)-2-ethylthiazolidin-3-ium-4-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,4S)-2-ethyl-4-thiazolidin-3-iumcarboxylate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>S</I>,4<I>S</I>)-2-ethyl-1,3-thiazolidin-3-ium-4-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,4S)-2-ethyl-1,3-thiazolidin-3-ium-4-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,4S)-2-ethyl-1,3-thiazolidin-3-ium-4-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,4S)-2-ethylthiazolidin-3-ium-4-carboxylate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H11NO2S/c1-2-5-7-4(3-10-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RSZVGLFPGDKTDK-UHNVWZDZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 161.05104977 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H11NO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 161.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1[NH2+]C(CS1)C(=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC[C@H]1[NH2+][C@H](CS1)C(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 161.05104977 10 2 2 0 0 0 0 0 1 -1