4-Methylthiomorpholine 1,1-dioxide

Base Information

• Chemical Name: 4-Methylthiomorpholine 1,1-dioxide
• CAS No.: 25343-91-3
• Molecular Formula: C5H11 N O2 S
• Molecular Weight: 149.214
• Hs Code.: 2934999090
• European Community (EC) Number: 246-877-5
• NSC Number: 84240
• DSSTox Substance ID: DTXSID50179992
• Nikkaji Number: J48.859C
• Mol file: 25343-91-3.mol

Synonyms:4-Methylthiomorpholine 1,1-dioxide;25343-91-3;4-Methylthiomorpholine-1,1-dioxide;Thiomorpholine, 4-methyl-, 1,1-dioxide;4-methyl-1,4-thiazinane 1,1-dioxide;EINECS 246-877-5;NSC 84240;BRN 0114527;N-Methyltetrahydro-1,4-thiazine-S-oxide;4-27-00-00636 (Beilstein Handbook Reference);4-METHYLTHIOMORPHOLINE1,1-DIOXIDE;NSC84240;WLN: T6N DSWTJ A1;SCHEMBL209495;DTXSID50179992;MFCD00014623;NSC-84240;LS-152789;CS-0091772;FT-0619118;4-methyl-1lambda~6~,4-thiazinane-1,1-dione;A817805

Chemical Property of 4-Methylthiomorpholine 1,1-dioxide

Chemical Property:

• Vapor Pressure: 0.00128mmHg at 25°C
• Melting Point: 84-88oC
• Boiling Point: 298.3°Cat760mmHg
• PKA: 6.10±0.20(Predicted)
• Flash Point: 134.2°C
• PSA: 45.76000
• Density: 1.202g/cm³
• LogP: 0.36530
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.05104977
• Heavy Atom Count: 9
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

4-Methylthiomorpholine 1,1-dioxide, 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCS(=O)(=O)CC1

Technology Process of 4-Methylthiomorpholine 1,1-dioxide

There total 3 articles about 4-Methylthiomorpholine 1,1-dioxide 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:

Divinyl sulfone (77-77-0) + methylamine (74-89-5) → N-methylthiomorpholine 1,1-dioxide (25343-91-3)

Guidance literature:

With ethanol;

DOI:10.1039/jr9490002433

Reference yield:

bis(2-chloroethyl)sulfone (471-03-4) + methylamine (74-89-5) → N-methylthiomorpholine 1,1-dioxide (25343-91-3)

Guidance literature:

With ethanol; sodium carbonate;

Reference yield:

→ N-methylthiomorpholine 1,1-dioxide (25343-91-3)

Guidance literature:

Divinylsulfon, MeNH2;

upstream raw materials:

Divinyl sulfone

methylamine

bis(2-chloroethyl)sulfone

Downstream raw materials:

1,1-dioxothiomorpholine hydrochloride

thiomorpholine-4-carbonyl chloride 1,1-dioxide

Refernces