Chemistry:Biotin sulfoxide

Biotin sulfoxide

Names
Preferred IUPAC name 5-[(3aS,4S,6aR)-2,5-Dioxooctahydro-5λ4-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Other names D-Biotin-d-sulfoxide
Identifiers
CAS Number	10406-89-0 N
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL1231481 N
ChemSpider	75652 N
MeSH	D-Biotin-d-sulfoxide
PubChem CID	83833
UNII	71ET0LK93W N
InChI InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1 N Key: KCSKCIQYNAOBNQ-YBSFLMRUSA-N N
SMILES C1[C@H]2[C@@H]([C@@H](S1=O)CCCCC(=O)O)NC(=O)N2
Properties
Chemical formula	C10H16N2O4S
Molar mass	260.31 g·mol−1
log P	-2.026
Acidity (pKa)	4.724
Basicity (pKb)	9.273
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

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Biotin sulfoxide is the substance that is formed when biotin is exposed to ultraviolet light in the presence of oxygen.