2,5,5-Trimethyl-4-thiazolidinecarboxylic acid
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2,5,5-Trimethyl-4-thiazolidinecarboxylic acid
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CAS No:
18455-58-8
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Formula:
C7H13NO2S
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Chemical Name:
2,5,5-Trimethyl-4-thiazolidinecarboxylic acid
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Synonyms:
4-Thiazolidinecarboxylic acid,2,5,5-trimethyl-;2,5,5-Trimethyl-4-thiazolidinecarboxylic acid;2,5,5-Trimethyl-D-thiazolidine-4-carboxylic acid;2,5,5-Trimethylthiazolidine-4-carboxylic acid;2,5,5-Trimethyl-1,3-thiazolidine-4-carboxylic acid;109826-54-2
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CAS No:
Description
2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is 1,3-Thiazolidine substituted with methyl groups at C-2, -5 and -5 and with a carboxy group at C-4, representing the thiazolidine ring of a generalised penicillin structure. It has a role as an allergen. It is a member of thiazolidines and a monocarboxylic acid.
Computed Properties
Molecular Weight:175.25
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:175.06669983
Monoisotopic Mass:175.06669983
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:181
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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