(2S,3S)-3-Hydroxy-2-(4-Methoxyphenyl)-2,3-Dihydro-1,5-Benzothiazepin-4(5H)-One
[CAS# 27068-88-8]

Identification

• Name: (2S,3S)-3-Hydroxy-2-(4-Methoxyphenyl)-2,3-Dihydro-1,5-Benzothiazepin-4(5H)-One
• Synonyms: (2S,3S)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one; - -2,3-Dihydro-3-hydroxy-2- -1,5-benzothiazepin-4 -one; (2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
• Molecular Formula: C₁₆H₁₅NO₃S
• Molecular Weight: 301.36
• CAS Registry Number: 27068-88-8
• SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=CC=CC=C3S2)O
• InChI: 1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
• InChIKey: LHBHZALHFIQJGJ-CABCVRRESA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 545.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 283.7±30.1°C (Cal.)
• Refractive index: 1.635 (Cal.)