Morpholinosulfur Trifluoride

• Catalog: OFC51010743
• CAS: 51010-74-3
• Category: Trifluoromethylthiolation Agents
• Synonyms: Morpholinosulfurtrifluoride; Morph-DAST
• Purity: ≥98%

• IUPAC Name: trifluoro(morpholin-4-yl)-lambda4-sulfane
• InChI: InChI=1S/C4H8F3NOS/c5-10(6,7)8-1-3-9-4-2-8/h1-4H2
• InChI Key: UFXIRMVZNARBDL-UHFFFAOYSA-N
• Isomeric SMILES: C1COCCN1S(F)(F)F
• EC Number: 628-341-6
• Reaxys Registry Number: 606224

• Molecular Formula: C4H8F3NOS
• Molecular Weight: 175.17
• Boiling Point: 41-42 °C (0.5 mm Hg)(lit.)
• Flash Point: 76 °C
• Density: 1.436 g/mL at 25 °C(lit.)
• Appearance: Clear yellow to amber liquid
• Storage: Inert atmosphere; Store in freezer, under -20 °C
• Stability: Moisture sensitive

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 175.02786954 g/mol
• Monoisotopic Mass: 175.02786954 g/mol
• Topological Polar Surface Area: 13.5Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112