1-(1,3-Benzothiazol-2-Yl)Ethyl 4-Methylbenzenesulfonate
[CAS# 57527-78-3]

Identification

• Name: 1-(1,3-Benzothiazol-2-Yl)Ethyl 4-Methylbenzenesulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid [(1S)-1-(1,3-Benzothiazol-2-Yl)Ethyl] Ester; Zinc04200336
• Molecular Formula: C₁₆H₁₅NO₃S₂
• Molecular Weight: 333.42
• CAS Registry Number: 57527-78-3
• SMILES: [C@@H](O[S](=O)(=O)C1=CC=C(C=C1)C)(C3=NC2=CC=CC=C2S3)C
• InChI: 1S/C16H15NO3S2/c1-11-7-9-13(10-8-11)22(18,19)20-12(2)16-17-14-5-3-4-6-15(14)21-16/h3-10,12H,1-2H3/t12-/m0/s1
• InChIKey: LUFVVEPVDDTGQU-LBPRGKRZSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 483.164°C at 760 mmHg (Cal.)
• Flash point: 246.009°C (Cal.)