2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine

Base Information

• Chemical Name: 2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine
• CAS No.: 58842-19-6
• Molecular Formula: C5H9 N S2
• Molecular Weight: 147.26
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20381924
• Nikkaji Number: J1.501.927A
• Wikidata: Q82173123
• Mol file: 58842-19-6.mol

Synonyms:58842-19-6;2-(Methylthio)-5,6-dihydro-4H-1,3-thiazine;2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine;2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine;5,6-Dihydro-2-(methylthio)-4H-1,3-thiazine;2-methylsulfanyl-5,6-dihydro-4H-[1,3]thiazine;SCHEMBL5991335;DTXSID20381924;FLLBHYISJYFGJV-UHFFFAOYSA-N;MFCD03783560;AKOS006228229;2-methylthio-5,6-dihydro-4h-1,3-thiazine;CS-0453905;FT-0608842

Chemical Property of 2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine

Chemical Property:

• Vapor Pressure: 0.0762mmHg at 25°C
• Boiling Point: 235.6°C at 760 mmHg
• Flash Point: 96.3°C
• PSA: 62.96000
• Density: 1.25g/cm³
• LogP: 1.27790
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.01764164
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

5,6-Dihydro-2-(methylsulfanyl)-4H-1,3-thiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NCCCS1

Technology Process of 2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine

There total 2 articles about 2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine 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:

Tetrahydro-1,3-thiazin-2-thion (5554-48-3) + methyl iodide (74-88-4) → 5,6-dihydro-2-(methylthio)-4H-1,3-thiazine (58842-19-6)

Guidance literature:

With methanol;

DOI:10.1021/ja01546a036

Reference yield:

Tetrahydro-1,3-thiazin-2-thion (5554-48-3) + dimethyl sulfate (77-78-1) → 5,6-dihydro-2-(methylthio)-4H-1,3-thiazine (58842-19-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9430000243

Reference yield: 94.0%

5,6-dihydro-2-(methylthio)-4H-1,3-thiazine (58842-19-6) + 1-<4-aminophenoxy>-3-1-(N4-phenylpiperazinyl)>propane (85868-46-8) → (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-{4-[3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-amine (85868-69-5)

Guidance literature:

In toluene; for 48h; Heating;

upstream raw materials:

Tetrahydro-1,3-thiazin-2-thion

dimethyl sulfate

methyl iodide

Downstream raw materials:

3-methyl-[1,3]thiazinan-2-ylideneamine

6-methylsulfanyl-7c-phenoxy-(6rH)-5-thia-1-aza-bicyclo[4.2.0]octan-8-one

6-methylsulfanyl-7-phenoxy-5-thia-1-aza-bicyclo[4.2.0]octan-8-one

(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-{3-[3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-amine

Refernces