morpholine-3-thione

• ChemBase ID: 801634
• Molecular Formular: C4H7NOS
• Molecular Mass: 117.16948
• Monoisotopic Mass: 117.02483485
• SMILES: C1(=S)COCCN1
• Canonical SMILES: S=C1COCCN1
• InChI: InChI=1S/C4H7NOS/c7-4-3-6-2-1-5-4/h1-3H2,(H,5,7)
• InChIKey: LTAFRIZVOKDEMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-3-thione
• IUPAC Traditional name: morpholine-3-thione
• Synonyms: MORPHOLINE-3-THIONE

CALCULATED PROPERTIES

• Acid pKa: 10.653782
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.26239187
• LogD (pH = 7.4): -0.26260358
• Log P: -0.26238915
• Molar Refractivity: 31.8379 cm^3
• Polarizability: 12.63262 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%