2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile

Base Information

Chemical Name:2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile
CAS No.:80357-08-0
Molecular Formula:C9H6N2O2S2
Molecular Weight:238.28600
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80513981
Wikidata:Q82374040
Mol file:80357-08-0.mol

Synonyms:2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile;80357-08-0;2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]acetonitrile;(1,1-dioxo-1H-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile;DTXSID80513981;[(1,1-Dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)sulfanyl]acetonitrile

Suppliers and Price of 2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile

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

Matrix Scientific
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 95+%
1g
$ 1647.00

Matrix Scientific
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 95+%
250mg
$ 742.00

Crysdot
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 95+%
1g
$ 772.00

Chemenu
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 95%
1g
$ 729.00

American Custom Chemicals Corporation
2-((1,1-DIOXIDOBENZO[D]ISOTHIAZOL-3-YL)THIO)ACETONITRILE 95.00%
5MG
$ 498.61

Alichem
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile
5g
$ 5300.00

Alichem
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile
1g
$ 1795.78

AK Scientific
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile
250mg
$ 1051.00

Total 6 raw suppliers

Chemical Property of 2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile

Chemical Property:

PSA：103.97000
LogP:1.90868
Storage Temp.:2-8°C
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:237.98706979
Heavy Atom Count:15
Complexity:427

Purity/Quality:

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

2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=NS2(=O)=O)SCC#N

Technology Process of 2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile

There total 3 articles about 2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 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: 85.0%

: 107-14-2
chloroacetonitrile

: 80357-05-7
1,2-benzisothiazol-3-(2H)-thione-1,1-dioxide nitranion sodium salt

: 80357-08-0
(1,1-dioxo-1H-1λ⁶-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile

Guidance literature:: In N,N-dimethyl-formamide; for 3.5h; Ambient temperature;
DOI:10.1246/cl.1981.1457 DOI:10.1246/bcsj.56.949

Reference yield: 50.0%

: 27148-03-4
thiosaccharine

: 107-14-2
chloroacetonitrile

: 80357-08-0
(1,1-dioxo-1H-1λ⁶-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile

Guidance literature:: thiosaccharine; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

chloroacetonitrile; In N,N-dimethyl-formamide; for 10h; Heating;

Reference yield:

: 81-07-2
saccharin

: 80357-08-0
(1,1-dioxo-1H-1λ⁶-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: 75 percent / P₂S₅ / 50 - 170 °C

2.1: NaH / dimethylformamide / 0.5 h / 0 °C

2.2: 50 percent / dimethylformamide / 10 h / Heating

With tetraphosphorus decasulfide; sodium hydride; In N,N-dimethyl-formamide;