2,2-Dimethyl-4-{[4-(4-Pyridinyloxy)Phenyl]Sulfonyl}-3-Thiomorpholinecarboxylic Acid
[CAS# 192329-83-2]

Identification

• Name: 2,2-Dimethyl-4-{[4-(4-Pyridinyloxy)Phenyl]Sulfonyl}-3-Thiomorpholinecarboxylic Acid
• Synonyms: 3-THIOMORPHOLINECARBOXYLICACID, 2,2-DIMETHYL-4-[[4-(4-PYRIDINYLOXY)PHENYL]SULFONYL]-, (3S)-
• Molecular Formula: C₁₈H₂₀N₂O₅S₂
• Molecular Weight: 408.49
• CAS Registry Number: 192329-83-2
• SMILES: O=S(=O)(N1CCSC(C)(C)C1C(O)=O)c3ccc(Oc2ccncc2)cc3
• InChI: 1S/C18H20N2O5S2/c1-18(2)16(17(21)22)20(11-12-26-18)27(23,24)15-5-3-13(4-6-15)25-14-7-9-19-10-8-14/h3-10,16H,11-12H2,1-2H3,(H,21,22)
• InChIKey: NXBDXOHMBJGREQ-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 607.885°C at 760 mmHg (Cal.)
• Flash point: 321.437°C (Cal.)
• Refractive index: 1.611 (Cal.)