6-[(4R,5R)-2-Oxo-5-(Sulfanylmethyl)Imidazolidin-4-Yl]Hexanoic Acid
[CAS# 139936-57-5]

Identification

• Name: 6-[(4R,5R)-2-Oxo-5-(Sulfanylmethyl)Imidazolidin-4-Yl]Hexanoic Acid
• Synonyms: 6-[(4R,5R)-5-(Mercaptomethyl)-2-Oxo-4-Imidazolidinyl]Hexanoic Acid; 6-[(4R,5R)-2-Keto-5-(Mercaptomethyl)Imidazolidin-4-Yl]Hexanoic Acid; 9-Mercaptodesthiobiotin
• Molecular Formula: C₁₀H₁₈N₂O₃S
• Molecular Weight: 246.32
• CAS Registry Number: 139936-57-5
• SMILES: [C@@H]1(NC(N[C@H]1CS)=O)CCCCCC(=O)O
• InChI: 1S/C10H18N2O3S/c13-9(14)5-3-1-2-4-7-8(6-16)12-10(15)11-7/h7-8,16H,1-6H2,(H,13,14)(H2,11,12,15)/t7-,8+/m1/s1
• InChIKey: ZARFDBYKHCOTRH-SFYZADRCSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 542.979°C at 760 mmHg (Cal.)
• Flash point: 282.184°C (Cal.)