Dihydroasparagusic acid
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Dihydroasparagusic acid
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CAS No:
7634-96-0
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Formula:
C4H8O2S2
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Chemical Name:
Dihydroasparagusic acid
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Synonyms:
Propanoic acid,3-mercapto-2-(mercaptomethyl)-;Propionic acid,3-mercapto-2-(mercaptomethyl)-;3-Mercapto-2-(mercaptomethyl)propanoic acid;Dihydroasparagusic acid;β,β′-Dimercaptoisobutyric acid;Asparagusic acid,dihydro-;2-Mercaptomethyl-3-mercaptopropionic acid;3-Mercapto-2-mercaptomethylpropionic acid;1,3-Dimercapto-2-carboxypropane
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CAS No:
Description
Solid
3-mercapto-2-mercaptomethylpropanoic acid is a sulfur-containing carboxylic acid consisting of isobutyric acid having mercapto substituents on both beta-carbons. It is a dithiol and a sulfur-containing carboxylic acid. It derives from a propionic acid. It is a conjugate acid of a 3-mercapto-2-mercaptomethylpropanoate(1-).
Characteristics
39.3 Ų
1.450 (est)
61-62 °C @ Solvent: Ligroine
305.50°C.@760.00mmHg(est)
3.245e+004 mg/L @ 25 °C (est)
Computed Properties
Molecular Weight:152.2
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:151.99657184
Monoisotopic Mass:151.99657184
Topological Polar Surface Area:39.3
Heavy Atom Count:8
Complexity:80.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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