4-[5-[(3R)-Dithiolan-3-Yl]Pentanoylamino]Benzoic Acid
[CAS# 129706-46-3]

Identification

• Name: 4-[5-[(3R)-Dithiolan-3-Yl]Pentanoylamino]Benzoic Acid
• Synonyms: 4-[[5-[(3R)-3-Dithiolanyl]-1-Oxopentyl]Amino]Benzoic Acid; 4-[5-[(3R)-1,2-Dithiolan-3-Yl]Pentanoylamino]Benzoic Acid; Benzoic Acid, 4-((5-(1,2-Dithiolan-3-Yl)-1-Oxopentyl)Amino)-, (R)-
• Molecular Formula: C₁₅H₁₉NO₃S₂
• Molecular Weight: 325.44
• CAS Registry Number: 129706-46-3
• SMILES: [C@H]1(CCSS1)CCCCC(=O)NC2=CC=C(C=C2)C(O)=O
• InChI: 1S/C15H19NO3S2/c17-14(4-2-1-3-13-9-10-20-21-13)16-12-7-5-11(6-8-12)15(18)19/h5-8,13H,1-4,9-10H2,(H,16,17)(H,18,19)/t13-/m1/s1
• InChIKey: NEBJBHGIXSLSNP-CYBMUJFWSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 576.936°C at 760 mmHg (Cal.)
• Flash point: 302.72°C (Cal.)