5-[(3aS,4S,6aR)-2-Amino-3A,4,6,6A-Tetrahydro-1H-Thieno[3,4-d]Imidazol-4-Yl]Pentanoic Acid
[CAS 147541-08-0]

Identification

• Name: 5-[(3aS,4S,6aR)-2-Amino-3A,4,6,6A-Tetrahydro-1H-Thieno[3,4-d]Imidazol-4-Yl]Pentanoic Acid
• Synonyms: 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, 2-amino-3a,4,6,6a-tetrahydro-, (3aS-(3aα,4β,6aα))-; 2-Iminobiotin; Guanidinobiotin
• Molecular Formula: C₁₀H₁₇N₃O₂S
• Molecular Weight: 243.33
• CAS Registry Number: 147541-08-0
• SMILES: O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=N/[C@H]12)\N
• InChI: 1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1
• InChIKey: WWVANQJRLPIHNS-ZKWXMUAHSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 477.326°C at 760 mmHg (Cal.)
• Flash point: 242.478°C (Cal.)
• Refractive index: 1.737 (Cal.)