Nitrosobiotin

5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid

Also Known As: Nitrosobiotin|Biotin Impurity 15|1'-Nitrosobiotin|Nitroso-Biotin|1'-Nitroso Biotin|5-[(3as,4s,6ar)-1-nitroso-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid|5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-1-nitroso-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|5-((3aS,4S,6aR)-1-nitroso-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-((3?S)-1-Nitroso-2-oxo-(3?r,6?c)-hexahydro-thieno[3,4-d]imidazol-4t-yl)-pentanoic acid|5-((3aS,4S,6aR)-1-nitroso-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic Acid ; Nitrosobiotin Impurity

Molecular Formula	C10H15N3O4S
Molecular Weight	273.07834 g/mol
LogP	0.2
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	273.07834
Monoisotopic Mass	273.07834
Heavy Atoms	18
Complexity	365.0

Chemical Identifiers

CAS Number	51591-87-8
SMILES	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2N=O
InChIKey	IFUXQNNMTPBRPW-ZKWXMUAHSA-N