Difethialone
[CAS# 104653-34-1]

Identification

• Name: Difethialone
• Synonyms: 2H-1-Benzothiopyran-2-One, 3-(3-(4'-Bromo(1,1'-Biphenyl)-4-Yl)-1,2,3,4-Tetrahydro-1-Naphthalenyl)-4-Hydroxy-; 3-(3-(4'-Bromo(1,1'-Biphenyl)-4-Yl)-1,2,3,4-Tetrahydro-1-Naphthalenyl)-4-Hydroxy-2H-1-Benzothiapyran-2-One; Difethialone
• Molecular Formula: C₃₁H₂₃BrO₂S
• Molecular Weight: 539.49
• CAS Registry Number: 104653-34-1
• SMILES: C2=C1C(CC(CC1=CC=C2)C3=CC=C(C=C3)C4=CC=C(Br)C=C4)C6=C(SC5=CC=CC=C5C6=O)O
• InChI: 1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2
• InChIKey: VSVAQRUUFVBBFS-UHFFFAOYSA-N

Properties

• Density: 1.442g/cm³ (Cal.)
• Boiling point: 659.62°C at 760 mmHg (Cal.)
• Flash point: 352.725°C (Cal.)