(5E)-5-(3-Methylbenzylidene)-2-Sulfanyl-1,3-Thiazol-4(5H)-One
[CAS# 127378-26-1]

Identification

• Name: (5E)-5-(3-Methylbenzylidene)-2-Sulfanyl-1,3-Thiazol-4(5H)-One
• Synonyms: (5E)-2-Mercapto-5-(3-methylbenzylidene)-1,3-thiazol-4(5H)-one; MFCD04969041; ZINC01599339
• Molecular Formula: C₁₁H₉NOS₂
• Molecular Weight: 235.33
• CAS Registry Number: 127378-26-1
• SMILES: CC1=CC(=CC=C1)/C=C/2\C(=O)N=C(S2)S
• InChI: 1S/C11H9NOS2/c1-7-3-2-4-8(5-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-6+
• InChIKey: NTFGFSORFHWWPQ-RMKNXTFCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 375.1±52.0°C at 760 mmHg (Cal.)
• Flash point: 180.6±30.7°C (Cal.)
• Refractive index: 1.682 (Cal.)

Safety Data

• Safety Description: IRRITANT