(4-Cyclohexyl-5-Furan-2-Yl-4 H-[1,2,4]Triazol-3-Ylsulfanyl)-Acetic Acid
[CAS 337487-27-1]

Identification

• Name: (4-Cyclohexyl-5-Furan-2-Yl-4 H-[1,2,4]Triazol-3-Ylsulfanyl)-Acetic Acid
• Synonyms: 2-[[4-Cyclohexyl-5-(2-Furyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate; 2-[[4-Cyclohexyl-5-(2-Furyl)-1,2,4-Triazol-3-Yl]Thio]Acetate; 2-[(4-Cyclohexyl-5-Furan-2-Yl-1,2,4-Triazol-3-Yl)Sulfanyl]Ethanoate
• Molecular Formula: C₁₄H₁₆N₃O₃S
• Molecular Weight: 306.36
• CAS Registry Number: 337487-27-1
• SMILES: C1=C(OC=C1)C2=NN=C(SCC([O-])=O)[N]2C3CCCCC3
• InChI: 1S/C14H17N3O3S/c18-12(19)9-21-14-16-15-13(11-7-4-8-20-11)17(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19)/p-1
• InChIKey: KGAMZALMAUKYRZ-UHFFFAOYSA-M

Properties

• Boiling point: 544.474°C at 760 mmHg (Cal.)
• Flash point: 283.088°C (Cal.)