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The molecular formula of 1,4-Thiomorpholine-3,5-dicarboxylic acid is C6H9NO4S.
The molecular weight of 1,4-Thiomorpholine-3,5-dicarboxylic acid is 191.21 g/mol.
The IUPAC name of 1,4-Thiomorpholine-3,5-dicarboxylic acid is thiomorpholine-3,5-dicarboxylic acid.
The InChI of 1,4-Thiomorpholine-3,5-dicarboxylic acid is InChI=1S/C6H9NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11).
The InChIKey of 1,4-Thiomorpholine-3,5-dicarboxylic acid is MHRLWUPLSHYLOK-UHFFFAOYSA-N.
The canonical SMILES of 1,4-Thiomorpholine-3,5-dicarboxylic acid is C1C(NC(CS1)C(=O)O)C(=O)O.
The CAS number of 1,4-Thiomorpholine-3,5-dicarboxylic acid is 91828-95-4.
The XLogP3-AA value of 1,4-Thiomorpholine-3,5-dicarboxylic acid is -2.8.
1,4-Thiomorpholine-3,5-dicarboxylic acid has 3 hydrogen bond donor count.
1,4-Thiomorpholine-3,5-dicarboxylic acid has 6 hydrogen bond acceptor count.
91828-39-6
91828-79-4
91828-83-0
918332-99-7
918335-87-2
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