S-1,3-Benzothiazol-2-yl O-methyl carbonothioate

Base Information

Chemical Name:S-1,3-Benzothiazol-2-yl O-methyl carbonothioate
CAS No.:54420-79-0
Molecular Formula:C9H7NO2S2
Molecular Weight:225.292
Hs Code.:2934999090
DSSTox Substance ID:DTXSID70514700
Wikidata:Q82375190
Mol file:54420-79-0.mol

Synonyms:54420-79-0;S-1,3-Benzothiazol-2-yl O-methyl carbonothioate;DTXSID70514700;Carbonothioic acid,s-2-benzothiazolyl O-methyl ester(9ci)

Suppliers and Price of S-1,3-Benzothiazol-2-yl O-methyl carbonothioate

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

Total 3 raw suppliers

Chemical Property of S-1,3-Benzothiazol-2-yl O-methyl carbonothioate

Chemical Property:

PSA：92.73000
LogP:3.15480
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:224.99182081
Heavy Atom Count:14
Complexity:225

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)SC1=NC2=CC=CC=C2S1

Technology Process of S-1,3-Benzothiazol-2-yl O-methyl carbonothioate

There total 9 articles about S-1,3-Benzothiazol-2-yl O-methyl carbonothioate 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: 89.0%

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

: 79-22-1
methyl chloroformate

: 54420-79-0
S-(1,3-benzothiazol-2-yl)-O-methyl carbonothioate

Guidance literature:: With sodium hydride; In tetrahydrofuran; benzene; at 20 ℃; for 1h;
DOI:10.3987/COM-03-S(P)10

Reference yield: 79.917%

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

: 79-22-1
methyl chloroformate

: 54420-79-0
S-(1,3-benzothiazol-2-yl)-O-methyl carbonothioate

Guidance literature:: 2-Mercaptobenzothiazole; With potassium carbonate; potassium hydroxide; In ethanol; Reflux;

methyl chloroformate; In ethanol; at 30 - 35 ℃;
DOI:10.22159/ijpps.2017v9i2.15760

Reference yield:

: 660390-63-6
N-(phenylacetyl)benzothiazoline-2-thione

: 54420-79-0
S-(1,3-benzothiazol-2-yl)-O-methyl carbonothioate

Guidance literature:: Multi-step reaction with 2 steps

1: benzene / 5 h / 20 °C / Irradiation

2: 89 percent / NaH / tetrahydrofuran; benzene / 1 h / 20 °C

With sodium hydride; In tetrahydrofuran; benzene;
DOI:10.3987/COM-03-S(P)10