2-Methyl-5-(2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl)Pentanoic Acid
[CAS# 30868-27-0]

Identification

• Name: 2-Methyl-5-(2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl)Pentanoic Acid
• Synonyms: 5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)-2-Methyl-Valeric Acid; Biotin, .Alpha.-Methyl-; Nsc145151
• Molecular Formula: C₁₁H₁₈N₂O₃S
• Molecular Weight: 258.33
• CAS Registry Number: 30868-27-0
• SMILES: C(C(C)C(O)=O)CCC1SCC2NC(=O)NC12
• InChI: 1S/C11H18N2O3S/c1-6(10(14)15)3-2-4-8-9-7(5-17-8)12-11(16)13-9/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)
• InChIKey: UBBSLIBPXCFHDN-UHFFFAOYSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 562.23°C at 760 mmHg (Cal.)
• Flash point: 293.826°C (Cal.)