Xenthiorate
[CAS# 7009-79-2]

Identification

• Name: Xenthiorate
• Synonyms: 2-(4-Phenylphenyl)Butanethioic Acid S-(2-Diethylaminoethyl) Ester; (1,1'-Biphenyl)-4-Ethanethioic Acid, Alpha-Ethyl-, S-(2-(Diethylamino)Ethyl) Ester; 4-Biphenylacetic Acid, Alpha-Ethylthio-, S-(2-(Diethylamino)Ethyl) Ester
• Molecular Formula: C₂₂H₂₉NOS
• Molecular Weight: 355.54
• CAS Registry Number: 7009-79-2
• SMILES: C1=C(C(C(SCCN(CC)CC)=O)CC)C=CC(=C1)C2=CC=CC=C2
• InChI: 1S/C22H29NOS/c1-4-21(22(24)25-17-16-23(5-2)6-3)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-15,21H,4-6,16-17H2,1-3H3
• InChIKey: PFNLUFYAGHJNKJ-UHFFFAOYSA-N

Properties

• Density: 1.05g/cm³ (Cal.)
• Boiling point: 473.518°C at 760 mmHg (Cal.)
• Flash point: 240.175°C (Cal.)