2-(1,1-Dioxido-4-Thiomorpholinyl)-3-Phenylpropanoic Acid
[CAS# 100610-68-2]

Identification

• Name: 2-(1,1-Dioxido-4-Thiomorpholinyl)-3-Phenylpropanoic Acid
• Synonyms: 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid; 2-(1,1-Dioxo-1λ⁶,4-thiazinan-4-yl)-3-phenylpropanoic acid; 2-(1,1-DIOXO-1λ6,4-THIAZINAN-4-YL)-3-PHENYLPROPANOICACID
• Molecular Formula: C₁₃H₁₇NO₄S
• Molecular Weight: 283.34
• CAS Registry Number: 100610-68-2
• SMILES: C1CS(=O)(=O)CCN1C(CC2=CC=CC=C2)C(=O)O
• InChI: 1S/C13H17NO4S/c15-13(16)12(10-11-4-2-1-3-5-11)14-6-8-19(17,18)9-7-14/h1-5,12H,6-10H2,(H,15,16)
• InChIKey: UDDLQGMQPCGTPD-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 119-121°C (Expl.)
• Boiling point: 509.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 262.2±30.1°C (Cal.)
• Refractive index: 1.591 (Cal.)

Safety Data

• Safety Description: IRRITANT