4-sulfanylbutanoate
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4-sulfanylbutanoate
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CAS No:
13095-66-4
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Formula:
C4H7O2S-
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Chemical Name:
4-sulfanylbutanoate
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Synonyms:
4-mercaptobutanoic acid;4-mercaptobutyrate;4-mercaptobutyrate monopotassium salt;4-mercaptobutyrate monosodium salt;4-mercaptobutyrate, Calcium salt (2:1);4-mercaptobutyrate, magnesium salt (2:1);4-mercaptobutyrate, parent acid;4-sulfanylbutanoate;4-Mercaptobutyrate;4-mercaptobutanoate;13095-66-4;4-sulfanylbutyrate;4-thiobutanoic acid;4-Thiobutyric Acid;gamma-mercaptobutyrate;gamma-sulfanylbutyrate;gamma-mercaptobutanoate;DTXSID50156809;CHEBI:138358;AKOS025243369;Butanoic acid, 4-mercapto-, ion(1-)
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CAS No:
Description
4-sulfanylbutanoate is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 4-sulfanylbutanoic acid. The major species at pH7.3. It is a conjugate base of a 4-sulfanylbutanoic acid.
Computed Properties
Molecular Weight:119.16
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:119.01667564
Monoisotopic Mass:119.01667564
Topological Polar Surface Area:41.1
Heavy Atom Count:7
Formal Charge:-1
Complexity:57.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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