(5E)-5-[4-(2-Methyl-2-Propanyl)Benzylidene]-2-Sulfanyl-1,3-Thiazol-4(5H)-One
[CAS# 312607-49-1]

Identification

• Name: (5E)-5-[4-(2-Methyl-2-Propanyl)Benzylidene]-2-Sulfanyl-1,3-Thiazol-4(5H)-One
• Synonyms: (5E)-5-(4-tert-Butylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one; MFCD04969048; ZINC01510055
• Molecular Formula: C₁₄H₁₅NOS₂
• Molecular Weight: 277.40
• CAS Registry Number: 312607-49-1
• SMILES: CC(C)(C)C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)S
• InChI: 1S/C14H15NOS2/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)/b11-8+
• InChIKey: VSDUUCKOLAQMBN-DHZHZOJOSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 390.0±52.0°C at 760 mmHg (Cal.)
• Flash point: 189.7±30.7°C (Cal.)
• Refractive index: 1.626 (Cal.)

Safety Data

• Safety Description: IRRITANT