N-Chloromethyl-benzothiazole-2-thione

Base Information

Chemical Name:N-Chloromethyl-benzothiazole-2-thione
CAS No.:41526-42-5
Molecular Formula:C8H6ClNS2
Molecular Weight:215.727
Hs Code.:2934999090
European Community (EC) Number:671-416-3
DSSTox Substance ID:DTXSID90352929
Wikidata:Q82130358
Mol file:41526-42-5.mol

Synonyms:41526-42-5;N-Chloromethyl-benzothiazole-2-thione;3-(chloromethyl)-1,3-benzothiazole-2-thione;3-chloromethyl-3h-benzothiazol-2-thione;n-chloromethylbenzothiazole-2-thione;3-chloromethyl-3h-benzothiazole-2-thione;3-(chloromethyl)benzo[d]thiazole-2(3H)-thione;SCHEMBL3393854;DTXSID90352929;MFCD00796314;AKOS002663070;FS-4323;3-chloromethyl-2-thioxobenzothiazolidine;3-(Chloromethyl)-2-benzothiazolinethione;A825582;A825725;3-(Chloromethyl)-1,3-benzothiazole-2(3H)-thione

Suppliers and Price of N-Chloromethyl-benzothiazole-2-thione

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

American Custom Chemicals Corporation
N-CHLOROMETHYLBENZOTHIAZOLE-2-THIONE 95.00%
25G
$ 1257.63

American Custom Chemicals Corporation
N-CHLOROMETHYLBENZOTHIAZOLE-2-THIONE 95.00%
5G
$ 834.37

Total 9 raw suppliers

Chemical Property of N-Chloromethyl-benzothiazole-2-thione

Chemical Property:

Vapor Pressure:9.5E-05mmHg at 25°C
Melting Point:126-131oC
Refractive Index:1.6000 (estimate)
Boiling Point:338.9°C at 760 mmHg
Flash Point:158.8°C
PSA：65.26000
Density:1.52g/cm³
LogP:3.62860
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:214.9630192
Heavy Atom Count:12
Complexity:198

Purity/Quality:

97% ^*data from raw suppliers

N-CHLOROMETHYLBENZOTHIAZOLE-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 43-38-21/22
Safety Statements: 36/37-24

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N(C(=S)S2)CCl

Technology Process of N-Chloromethyl-benzothiazole-2-thione

There total 4 articles about N-Chloromethyl-benzothiazole-2-thione 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: 95.0%

: 3161-57-7
3-hydroxymethyl-3H-benzothiazole-2-thione

: 41526-42-5
3-chloromethyl-3H-benzothiazole-2-thione

Guidance literature:: With thionyl chloride; In water; 1,2-dichloro-ethane; for 2h; Heating;

Reference yield: 94.0%

: 149-30-4,81605-65-4
2-thioxo-3H-1,3-benzothiazole

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 41526-42-5
3-chloromethyl-3H-benzothiazole-2-thione

Guidance literature:: With thionyl chloride;

Reference yield:

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

: 41526-42-5
3-chloromethyl-3H-benzothiazole-2-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / ethanol; H₂O / 0.17 h / 70 - 75 °C

2: 70 percent / POCl₃, pyridine / 0.5 h / 60 - 70 °C

With pyridine; trichlorophosphate; In ethanol; water;