2-Methylthiomorpholine

Base Information

• Chemical Name: 2-Methylthiomorpholine
• CAS No.: 3970-88-5
• Molecular Formula: C5H11NS
• Molecular Weight: 117.21
• European Community (EC) Number: 898-457-1
• DSSTox Substance ID: DTXSID501314526
• Mol file: 3970-88-5.mol

Synonyms:2-methylthiomorpholine;3970-88-5;Thiomorpholine, 2-methyl-;2-Methylthiomorpholin;rac-2-Methyl-thiomorpholine;SCHEMBL1099053;MHHCLPHGZOISFK-UHFFFAOYSA-N;DTXSID501314526;2-Methylthiomorpholine, AldrichCPR;AKOS000223781;AKOS016904552;AT10751;CS-0006426;EN300-69333;Z334686272

Chemical Property of 2-Methylthiomorpholine

Chemical Property:

• Boiling Point: 163 °C
• PKA: 9.17±0.40(Predicted)
• PSA: 37.33000
• Density: 0.961±0.06 g/cm3(Predicted)
• LogP: 1.04010
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 117.06122053
• Heavy Atom Count: 7
• Complexity: 56

Purity/Quality:

97% ^*data from raw suppliers

2-methylthiomorpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNCCS1

Technology Process of 2-Methylthiomorpholine

There total 4 articles about 2-Methylthiomorpholine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ methyl-2 thiomorpholine-1,4 (3970-88-5)

Guidance literature:

With lithium aluminium tetrahydride; dibutyl ether;

DOI:10.1021/ja01640a013

Reference yield:

→ methyl-2 thiomorpholine-1,4 (3970-88-5)

Guidance literature:

With sodium sulfide; ethanol;

DOI:10.1021/ja01640a013

Reference yield:

3-methyl-2-oxo-1,4-thiazane (69226-20-6) → methyl-2 thiomorpholine-1,4 (3970-88-5)

Guidance literature:

With sodium tetrahydroborate; acetic acid; In 1,4-dioxane; for 5h; Yield given; Heating;

DOI:10.1021/jo00067a023

upstream raw materials:

3-methyl-2-oxo-1,4-thiazane

Downstream raw materials:

2-methyl-thiomorpholine-4-carbothioic acid 4-methyl-anilide

2-methyl-thiomorpholine-4-carbothioic acid anilide

2-methyl-thiomorpholine-4-carbothioic acid 4-methoxy-anilide

2-methyl-thiomorpholine-4-carbothioic acid 4-ethoxy-anilide

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