76176-82-4

Basic information

• Product Name: 3-MethylthioMorpholine
• Synonyms: Thiomorpholine, 3-methyl-
• CAS NO: 76176-82-4
• Molecular Formula: C₅H₁₁NS
• Molecular Weight: 117.21254
• Mol File: 76176-82-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 154-159 °C
• Appearance: /
• Density: 0.961±0.06 g/cm3(Predicted)
• PKA: 9.20±0.40(Predicted)
• CAS DataBase Reference: 3-MethylthioMorpholine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-MethylthioMorpholine(76176-82-4)
• EPA Substance Registry System: 3-MethylthioMorpholine(76176-82-4)

Safety Data

• Hazardous Substances Data: 76176-82-4(Hazardous Substances Data)

Relevant articles and documents

Conformational Analysis of Methylthiazanes: The Problem of the Me-C-N-Me Gauche Interaction

The position of conformational equilibria in 2- and 3-methyl-1,4-thiazanes and cis- and trans-2,3-dimethyl-1,4-thiazanes, their N-methyl derivatives, and several of the corresponding sulfoxides and sulfones have been measured.The ΔG0 values for the methyl groups are generally in agreement with what one would expect on the basis of known conformational equilibria in methylthianes, methylpiperidines, and N-methylated homologs of the latter; however, the differences in ΔG0 between the 2-methyl and N,2-dimethyl homologs are even larger than in the piperidine series.An explanation for these differences is based on MM3 force field calculations of molecular geometry.The sulfoxide and sulfone data throw light on SO/H and SO/Me syn-axial as well as SO/Me gauche interactions.