(5E)-5-(3-Isopropoxybenzylidene)-2-Sulfanyl-1,3-Thiazol-4(5H)-One
[CAS# 127378-77-2]

Identification

• Name: (5E)-5-(3-Isopropoxybenzylidene)-2-Sulfanyl-1,3-Thiazol-4(5H)-One
• Synonyms: (5E)-5-(3-Isopropoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one; (5E)-5-[3-(propan-2-yloxy)benzylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one; 5-{[3-(methylethoxy)phenyl]methylene}-2-sulfanyl-1,3-thiazolin-4-one
• Molecular Formula: C₁₃H₁₃NO₂S₂
• Molecular Weight: 279.38
• CAS Registry Number: 127378-77-2
• SMILES: CC(C)OC1=CC=CC(=C1)/C=C/2\C(=O)N=C(S2)S
• InChI: 1S/C13H13NO2S2/c1-8(2)16-10-5-3-4-9(6-10)7-11-12(15)14-13(17)18-11/h3-8H,1-2H3,(H,14,15,17)/b11-7+
• InChIKey: OMFWLYLAOJXAOG-YRNVUSSQSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 417.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 206.3±31.5°C (Cal.)
• Refractive index: 1.64 (Cal.)

Safety Data

• Safety Description: IRRITANT