S-(4-Pentylphenyl) 4-(Octyloxy)Benzenecarbothioate
[CAS# 61519-05-9]

Identification

• Name: S-(4-Pentylphenyl) 4-(Octyloxy)Benzenecarbothioate
• Synonyms: 4-(Octyloxy)benzenecarbothioic acid S-(4-pentylphenyl) ester; 4-Pentylphenylthiol 4'-octyloxybenzoate
• Molecular Formula: C₂₆H₃₆O₂S
• Molecular Weight: 412.63
• CAS Registry Number: 61519-05-9
• SMILES: CCCCCCCCOc1ccc(cc1)C(=O)Sc2ccc(cc2)CCCCC
• InChI: 1S/C26H36O2S/c1-3-5-7-8-9-11-21-28-24-17-15-23(16-18-24)26(27)29-25-19-13-22(14-20-25)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3
• InChIKey: LTYZTPZHKWYMOE-UHFFFAOYSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 521.676°C at 760 mmHg (Cal.)
• Flash point: 244.032°C (Cal.)