1,4-thiazepane-3,5-dicarboxylic acid
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1,4-thiazepane-3,5-dicarboxylic acid
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CAS No:
56217-96-0
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Formula:
C7H11NO4S
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Chemical Name:
1,4-thiazepane-3,5-dicarboxylic acid
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Synonyms:
1,4-hexahydrothiazepine-3,5-dicarboxylic acid;cyclothionine;perhydro-1,4-thiazepine-3,5-dicarboxylic acid;Cyclothionine;1,4-thiazepane-3,5-dicarboxylic acid;56217-96-0;Perhydro-1,4-thiazepine-3,5-dicarboxylic acid;SCHEMBL468455;DTXSID00971620;hexahydro-1,4-thiazepine-3,5-dicarboxylic acid;1,4-Thiazepine-3,5-dicarboxylic acid, hexahydro-;105990-93-0
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CAS No:
Computed Properties
Molecular Weight:205.23
XLogP3:-2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:205.04087901
Monoisotopic Mass:205.04087901
Topological Polar Surface Area:112
Heavy Atom Count:13
Complexity:221
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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