1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-
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![1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/76ebecc07c5f418cbc42254274370e87.png "1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-")
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-
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CAS No:
40720-05-6
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Formula:
C10H16N2O5S
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Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-
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Synonyms:
1H-Thieno[3,4-d]imidazole-4-pentanoic acid,hexahydro-2-oxo-,5,5-dioxide,(3aS,4S,6aR)-;1H-Thieno[3,4-d]imidazole-4-pentanoic acid,hexahydro-2-oxo-,5,5-dioxide,[3aS-(3aα,4β,6aα)]-;Biotin,5,5-dioxide;Biotin sulfone
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CAS No:
Description
Solid
Biotin sulfone is a member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide. It has a role as a metabolite. It is a member of biotins and a sulfone. It derives from a biotin sulfoxide.
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)- Basic Attributes
276.31 g/mol
276.31
22451MYQ9X
Drug Information
5-((3aS,4S,6aR)-5,5-dioxido-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)pentanoic acid
Computed Properties
Molecular Weight:276.31
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:276.07799279
Monoisotopic Mass:276.07799279
Topological Polar Surface Area:121
Heavy Atom Count:18
Complexity:455
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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