14,15-Episulfide Eicosa-5,8,11-trienoic Acid
[CAS# 98893-66-4]

Identification

• Name: 14,15-Episulfide Eicosa-5,8,11-trienoic Acid
• Synonyms: (5E,8E,11E)-13-[(3S)-3-Pentyl-2-Thiiranyl]Trideca-5,8,11-Trienoic Acid; (5E,8E,11E)-13-[(3S)-3-Amylthiiran-2-Yl]Trideca-5,8,11-Trienoic Acid; 14,15-Episulfide Eicosatrienoic Acid
• Molecular Formula: C₂₀H₃₂O₂S
• Molecular Weight: 336.53
• CAS Registry Number: 98893-66-4
• SMILES: [C@H]1(SC1C\C=C\C\C=C\C\C=C\CCCC(=O)O)CCCCC
• InChI: 1S/C20H32O2S/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4+,9-7+,13-10+/t18-,19?/m0/s1
• InChIKey: FUMNQBDBOXEMAE-FRIOHRSFSA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 487.453°C at 760 mmHg (Cal.)
• Flash point: 248.603°C (Cal.)