(5E)-5-(4-Methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
[CAS# 81154-16-7]

Identification

• Name: (5E)-5-(4-Methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
• Synonyms: (5E)-2-Mercapto-5-(4-methoxybenzylidene)-1,3-thiazol-4(5H)-one; 5-[(4-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one; 5462-97-5; 81154-16-7; 81154-17-8
• Molecular Formula: C₁₁H₉NO₂S₂
• Molecular Weight: 251.32
• CAS Registry Number: 81154-16-7
• SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)S
• InChI: 1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+
• InChIKey: ORGCJYCWFZQEFX-RMKNXTFCSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 414.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 204.4±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT