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Biotin sulfone 500mg

CAT: 0628-A18646-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A18646-500Size:500 mg
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CAS Number
40720-05-6

Chemical Information

1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-

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 sulfone and a member of biotins. It is functionally related to a biotin sulfoxide.

CAS Number40720-05-6
PubChem CID83863
IUPAC Name5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular FormulaC10H16N2O5S
Molecular Weight276.31
XLogP-0.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity455
SMILES
C1[C@H]2[C@@H]([C@@H](S1(=O)=O)CCCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKey
QPFQYMONYBAUCY-ZKWXMUAHSA-N
Chemical Structure
2D Structure
2D structure of 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-
CAS: 40720-05-6
CID: 83863
Formula: C10H16N2O5S
MW: 276.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.31
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass276.07799279
Monoisotopic Mass276.07799279
Topological Polar Surface Area121 Ų
Heavy Atom Count18
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-B389055-500MGBiotin Sulfone
HY-113268RBiotin sulfone (Standard)
RG-A261372-01Phenyl Sulfone; Diphenyl Sulfone
CS-T-60524Phorate Sulfone
CS-T-23561Fensulfothion Sulfone
CS-O-10046Ziprasidone Sulfone
CS-W-00252Toltrazuril sulfone
HY-17008-01Toltrazuril (sulfone)
FH23775-01Hexachlorodimethyl sulfone
FD167646-01Diethyl sulfone

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