(3Z)-3-(1,3-Benzodioxol-5-Ylmethylidene)-6-Methoxythiochroman-4-One
[CAS# 130689-05-3]

Identification

• Name: (3Z)-3-(1,3-Benzodioxol-5-Ylmethylidene)-6-Methoxythiochroman-4-One
• Synonyms: (3Z)-3-(1,3-Benzodioxol-5-Ylmethylene)-6-Methoxy-Thiochroman-4-One; (3Z)-3-(1,3-Benzodioxol-5-Ylmethylene)-6-Methoxy-4-Thiochromanone; (3Z)-3-(1,3-Benzodioxol-5-Ylmethylidene)-6-Methoxy-Thiochroman-4-One
• Molecular Formula: C₁₈H₁₄O₄S
• Molecular Weight: 326.37
• CAS Registry Number: 130689-05-3
• SMILES: C1=C2C(=CC(=C1)OC)C(C(/CS2)=C/C4=CC=C3OCOC3=C4)=O
• InChI: 1S/C18H14O4S/c1-20-13-3-5-17-14(8-13)18(19)12(9-23-17)6-11-2-4-15-16(7-11)22-10-21-15/h2-8H,9-10H2,1H3/b12-6+
• InChIKey: QFBKJAKGMWLZTC-WUXMJOGZSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 539.475°C at 760 mmHg (Cal.)
• Flash point: 282.636°C (Cal.)