2-(Methylthio)benzothiazole

Base Information Edit

Chemical Name:2-(Methylthio)benzothiazole
CAS No.:615-22-5
Molecular Formula:C8H7NS2
Molecular Weight:181.282
Hs Code.:29342000
European Community (EC) Number:210-417-1
NSC Number:41046,5352
UNII:2748L341KY
DSSTox Substance ID:DTXSID70274236
Nikkaji Number:J37.327C
Wikidata:Q15999703
Metabolomics Workbench ID:52849
ChEMBL ID:CHEMBL1303065
Mol file:615-22-5.mol

Synonyms:2-(methylthio)benzothiazole

Suppliers and Price of 2-(Methylthio)benzothiazole

Supply Marketing:Edit

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

TRC
2-(Methylthio)benzothiazole
2.5g
$ 85.00

TCI Chemical
2-(Methylthio)benzothiazole >98.0%(GC)
25g
$ 48.00

TCI Chemical
2-(Methylthio)benzothiazole >98.0%(GC)
500g
$ 371.00

Sigma-Aldrich
2-(Methylthio)benzothiazole 97%
50g
$ 106.00

Oakwood
2-(Methylthio)benzo[d]thiazole 97%
5g
$ 10.00

Oakwood
2-(Methylthio)benzo[d]thiazole 97%
10g
$ 15.00

Frontier Specialty Chemicals
2-(Methylthio)benzothiazole 98%
100g
$ 141.00

Frontier Specialty Chemicals
2-(Methylthio)benzothiazole 98%
25g
$ 43.00

Crysdot
2-(Methylthio)benzo[d]thiazole 95+%
500g
$ 230.00

Chem-Impex
2-(Methylthio)benzothiazole,≥98%(GC) ≥98%(GC)
25G
$ 45.06

Total 55 raw suppliers

Chemical Property of 2-(Methylthio)benzothiazole Edit

Chemical Property:

Appearance/Colour:colorless to light yellow crystalline powder
Vapor Pressure:0.0014mmHg at 25°C
Melting Point:47-49 °C(lit.)
Refractive Index:1.723
Boiling Point:302 °C at 760 mmHg
PKA:1.22±0.10(Predicted)
Flash Point:136.4 °C
PSA：66.43000
Density:1.31 g/cm³
LogP:3.01820
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Sparingly), Methanol (Slightly, Sonicated)
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.00199157
Heavy Atom Count:11
Complexity:140

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Methylthio)benzothiazole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,F
Statements: 36/37/38-15
Safety Statements: 26-36-43

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Thiazoles
Canonical SMILES:CSC1=NC2=CC=CC=C2S1
Uses 2-(Methylthio)Benzothiazole could be useful for removing pollutants in drinking water. 2-(Methylthio)benzothiazole was used in trace determination of polar 1H-benzotriazoles and benzothiazoles in drinking and surface water by liquid chromatography-electrospray mass spectrometry.

Technology Process of 2-(Methylthio)benzothiazole

There total 69 articles about 2-(Methylthio)benzothiazole 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: 99.0%

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 74-88-4
methyl iodide

: 615-22-5
2-methylmercaptobenzothiazole

Guidance literature:: 2-Mercaptobenzothiazole; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/jo102326p

Reference yield: 97.0%

: 3507-54-8
2-(methylsulfinyl)benzothiazole

: 615-22-5
2-methylmercaptobenzothiazole

Guidance literature:: With fac-tris(2-phenylpyridinato-N,C₂')iridium(III); triphenylphosphine; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere; Irradiation;
DOI:10.1021/acscatal.0c00690