2-Methyl-2-Propanyl [(3S)-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzothiazepin-3-Yl]Carbamate
[CAS# 440634-11-7]

Identification

• Name: 2-Methyl-2-Propanyl [(3S)-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzothiazepin-3-Yl]Carbamate
• Synonyms: 3(S)-Boc-amino-2,3-dihydro-4-oxo-1,5-benzothiazepine
• Molecular Formula: C₁₄H₁₈N₂O₃S
• Molecular Weight: 294.37
• CAS Registry Number: 440634-11-7
• SMILES: O=C(OC(C)(C)C)N[C@H]1C(=O)Nc2c(SC1)cccc2
• InChI: 1S/C14H18N2O3S/c1-14(2,3)19-13(18)16-10-8-20-11-7-5-4-6-9(11)15-12(10)17/h4-7,10H,8H2,1-3H3,(H,15,17)(H,16,18)/t10-/m1/s1
• InChIKey: YHSONFJMJNCOAE-SNVBAGLBSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 491.49°C at 760 mmHg (Cal.)
• Flash point: 251.044°C (Cal.)
• Refractive index: 1.594 (Cal.)