4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide

Base Information

Chemical Name:4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS No.:42140-71-6
Molecular Formula:C₉H₁₀N₂O₂S₂
Molecular Weight:242.323
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60562033
Nikkaji Number:J315.007K
Wikidata:Q82446007
Mol file:42140-71-6.mol

Synonyms:4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide;42140-71-6;4-methyl-3-methylsulfanyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide;SCHEMBL25327775;DTXSID60562033;MFCD09878045;A825786;4-Methyl-3-(methylsulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

Suppliers and Price of 4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide 95+%
1g
$ 395.00

American Custom Chemicals Corporation
4-METHYL-3-METHYLTHIO-4H-1,2,4-BENZOTHIADIAZIN-1,1-DIOXIDE 95.00%
5MG
$ 501.97

Total 2 raw suppliers

Chemical Property of 4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide

Chemical Property:

Vapor Pressure:4.54E-07mmHg at 25°C
Boiling Point:414.2°C at 760 mmHg
Flash Point:204.3°C
PSA：83.42000
Density:1.43g/cm³
LogP:2.12550
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:242.01836991
Heavy Atom Count:15
Complexity:372

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2S(=O)(=O)N=C1SC

Technology Process of 4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide

There total 8 articles about 4-Methyl-3-methylthio-4H-1,2,4-benzothiadiazin-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: 76.0%

: 20926-33-4
3-(methylthio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

: 74-88-4
methyl iodide

: 42140-71-6
4-methyl-3-(methylthio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; acetonitrile; at 20 ℃; for 10h;
DOI:10.1002/cmdc.202000729

Reference yield:

: 87343-84-8
3-thioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

: 42140-71-6
4-methyl-3-(methylthio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / methanol; water / 1 h / 20 °C / Inert atmosphere

2: potassium carbonate / acetonitrile; N,N-dimethyl-formamide / 10 h / 20 °C

With sodium hydrogencarbonate; potassium carbonate; In methanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1002/cmdc.202000729

Reference yield:

: 62-53-3
aniline

: 42140-71-6
4-methyl-3-(methylthio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Guidance literature:: Multi-step reaction with 4 steps

1: aluminum (III) chloride / nitromethane / 1 h / -5 °C / Inert atmosphere; Reflux

2: tetraphosphorus decasulfide; pyridine / Inert atmosphere; Reflux

3: sodium hydrogencarbonate / methanol; water / 1 h / 20 °C / Inert atmosphere

4: potassium carbonate / acetonitrile; N,N-dimethyl-formamide / 10 h / 20 °C

With pyridine; aluminum (III) chloride; tetraphosphorus decasulfide; sodium hydrogencarbonate; potassium carbonate; In methanol; nitromethane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1002/cmdc.202000729