2,1,3-Benzothiadiazol-5-yl isothiocyanate

Base Information

Chemical Name:2,1,3-Benzothiadiazol-5-yl isothiocyanate
CAS No.:337508-62-0
Molecular Formula:C₇H₃N₃S₂
Molecular Weight:193.253
Hs Code.:2934999090
DSSTox Substance ID:DTXSID60379961
Mol file:337508-62-0.mol

Synonyms:2,1,3-Benzothiadiazol-5-yl isothiocyanate;337508-62-0;5-isothiocyanato-2,1,3-benzothiadiazole;2,1,3-benzothiadiazol-5-ylisothiocyanate;5-Isothiocyanatobenzo[c][1,2,5]thiadiazole;SCHEMBL1812634;DTXSID60379961;HHDWFDQYUFKNCO-UHFFFAOYSA-N;MFCD02681895;AKOS006228838;PS-10280;5-isothiocyanatobenzo[c][1.2.5]thiadiazole;FT-0608993;A821925;J-506693

Suppliers and Price of 2,1,3-Benzothiadiazol-5-yl isothiocyanate

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

TRC
2,1,3-Benzothiadiazol-5-ylIsothiocyanate
10mg
$ 45.00

SynQuest Laboratories
5-Isothiocyanato-2,1,3-benzothiadiazole
1 g
$ 192.00

SynQuest Laboratories
5-Isothiocyanato-2,1,3-benzothiadiazole
250 mg
$ 88.00

American Custom Chemicals Corporation
2,1,3-BENZOTHIADIAZOL-5-YL ISOTHIOCYANATE 95.00%
1G
$ 752.14

American Custom Chemicals Corporation
2,1,3-BENZOTHIADIAZOL-5-YL ISOTHIOCYANATE 95.00%
250MG
$ 657.54

AHH
2,1,3-Benzothiadiazol-5-ylisothiocyanate 97%
5g
$ 530.00

Total 8 raw suppliers

Chemical Property of 2,1,3-Benzothiadiazol-5-yl isothiocyanate

Chemical Property:

Vapor Pressure:0.000278mmHg at 25°C
Melting Point:96oC
Boiling Point:332.6oC at 760 mmHg
Flash Point:155oC
PSA：98.47000
Density:1.54g/cm3
LogP:2.42560
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:192.97683946
Heavy Atom Count:12
Complexity:215

Purity/Quality:

97% ^*data from raw suppliers

2,1,3-Benzothiadiazol-5-ylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes: Xn:Harmful;
Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=NSN=C2C=C1N=C=S

Technology Process of 2,1,3-Benzothiadiazol-5-yl isothiocyanate

There total 1 articles about 2,1,3-Benzothiadiazol-5-yl isothiocyanate 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: 79.0%