Biotin sulfone

5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

Also Known As: Biotin sulfone|Biotinsulfon|biotin sulfoxide|5,5-dioxide Biotin|p-chlorotetrahydrophthalanil|3972AB|5-[(3as,4s,6ar)-5,5-dioxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid|5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid|2-(4-Chlorophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione|5-((3aS,4S,6aR)-5,5-Dioxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-

Molecular Formula	C10H16N2O5S
Molecular Weight	276.078 g/mol
LogP	-0.52
Topological Polar Surface Area	112.57 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	276.078
Heavy Atoms	18
Complexity	460.9

Chemical Identifiers

CAS Number	40720-05-6
SMILES	C1[C@H]2[C@@H]([C@@H](S1(=O)=O)CCCCC(=O)O)NC(=O)N2