1,6-Dithiabenz(3,4)Estra-3,5(10),8,14-Tetraen-17-One
[CAS# 87303-94-4]

Identification

• Name: 1,6-Dithiabenz(3,4)Estra-3,5(10),8,14-Tetraen-17-One
• Synonyms: 1,6-Dithiabenz(3,4)Estra-3,5(10),8,14-Tetraen-17-One; 3H-Indeno(5',4':4,5)Thiopyrano(3,2-C)(2)Benzothiopyran-3-One, 2,3A,4,5,7,13-Hexahydro-3A-Methyl-, (+-)-
• Molecular Formula: C₂₀H₁₈OS₂
• Molecular Weight: 338.48
• CAS Registry Number: 87303-94-4
• SMILES: [C@@]15(C(=CCC1=O)C2=C(C3=C(SC2)C4=C(CS3)C=CC=C4)CC5)C
• InChI: 1S/C20H18OS2/c1-20-9-8-14-15(16(20)6-7-17(20)21)11-23-18-13-5-3-2-4-12(13)10-22-19(14)18/h2-6H,7-11H2,1H3/t20-/m0/s1
• InChIKey: WAPGFRWUVYAQOC-FQEVSTJZSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 611.419°C at 760 mmHg (Cal.)
• Flash point: 272.125°C (Cal.)