2-[(Isocyanatomethyl)sulfanyl]-1,3-benzothiazole

Base Information

Chemical Name:2-[(Isocyanatomethyl)sulfanyl]-1,3-benzothiazole
CAS No.:92137-10-5
Molecular Formula:C₉H₆N₂OS₂
Molecular Weight:222.291
Hs Code.:
DSSTox Substance ID:DTXSID70524324
Mol file:92137-10-5.mol

Synonyms:92137-10-5;2-[(Isocyanatomethyl)sulfanyl]-1,3-benzothiazole;DTXSID70524324;Benzothiazole,2-[(isocyanatomethyl)thio]-(9ci)

Suppliers and Price of 2-[(Isocyanatomethyl)sulfanyl]-1,3-benzothiazole

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 2-[(Isocyanatomethyl)sulfanyl]-1,3-benzothiazole

Chemical Property:

PSA：95.86000
LogP:2.68170
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:221.99215517
Heavy Atom Count:14
Complexity:243

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=C(S2)SCN=C=O

Technology Process of 2-[(Isocyanatomethyl)sulfanyl]-1,3-benzothiazole

There total 3 articles about 2-[(Isocyanatomethyl)sulfanyl]-1,3-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:

: 6295-57-4
2-benzthiazole thioacetic acid

: 92137-10-5
2-Isocyanatomethylsulfanyl-benzothiazole

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride / CH₂Cl₂ / 3.5 h / Ambient temperature

2: NaN₃ / dimethylformamide; CH₂Cl₂; H₂O / 1.5 h / 0 °C

3: toluene / Heating

With sodium azide; oxalyl dichloride; In dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm00095a012

Reference yield:

: 80357-75-1
2-[(benzothiazol-2-yl)thio] acetyl chloride

: 92137-10-5
2-Isocyanatomethylsulfanyl-benzothiazole

Guidance literature:: Multi-step reaction with 2 steps

1: NaN₃ / dimethylformamide; CH₂Cl₂; H₂O / 1.5 h / 0 °C

2: toluene / Heating

With sodium azide; In dichloromethane; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm00095a012