Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

Base Information

Chemical Name:Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide
CAS No.:27148-03-4
Molecular Formula:C7H5 N O2 S2
Molecular Weight:199.254
Hs Code.:2934991000
DSSTox Substance ID:DTXSID90181615
Nikkaji Number:J38.217E
Mol file:27148-03-4.mol

Synonyms:27148-03-4;Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide;1,1-Dioxo-1,2-benzothiazole-3-thione;1,2-Benzisothiazole-3(2H)-thione 1,1-dioxide;1,2-Benzisothiazoline-3-thione, 1,1-dioxide;1,2-benzisothiazol-3-(2H)-thione-1,1-dioxide;3-sulfanyl-1,2-benzothiazole-1,1-dione;1,2-Benzisothiazole-3(2H)-thione, 1,1-dioxide;SCHEMBL4883407;DTXSID90181615;C7-H5-N-O2-S2;CBA14803;MFCD18451364;3-Mercaptobenzisothiazole S,S-dioxide;AKOS009181194;DS-16016;1,2-benzisothiazole-3-thiol 1,1-dioxide;CS-0149694;Benzo[d]isothiazole-3(2H)-thione1,1-dioxide;EN300-31710;1,1-dioxo-1,2-benzoisothiazol-3(2H)-thione;1,2-benzisothiazol-3(2h)-thione 1,1-dioxide;C74405;3-sulfanyl-1lambda6,2-benzothiazole-1,1-dione;1,2-BENZISOTHIAZOLE-3(2H)-THIONE1,1-DIOXIDE;F1904-0004;34452-63-6

Suppliers and Price of Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

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
3-sulfanyl-1,2-benzothiazole-1,1-dione
10mg
$ 45.00

Chemenu
Benzo[d]isothiazole-3(2H)-thione1,1-dioxide 95%
5g
$ 1431.00

Chemenu
Benzo[d]isothiazole-3(2H)-thione1,1-dioxide 95%
1g
$ 486.00

Ambeed
Benzo[d]isothiazole-3(2H)-thione1,1-dioxide 95+%
250mg
$ 116.00

Ambeed
Benzo[d]isothiazole-3(2H)-thione1,1-dioxide 95+%
100mg
$ 59.00

Alichem
Benzo[d]isothiazole-3(2H)-thione1,1-dioxide
5g
$ 1499.40

Alichem
Benzo[d]isothiazole-3(2H)-thione1,1-dioxide
1g
$ 566.80

Total 18 raw suppliers

Chemical Property of Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

Chemical Property:

Vapor Pressure:6.05E-06mmHg at 25°C
Melting Point:192 °C
Boiling Point:379°Cat760mmHg
PKA:0.89±0.20(Predicted)
Flash Point:183°C
PSA：93.68000
Density:1.65g/cm³
LogP:1.58170
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:198.97617075
Heavy Atom Count:12
Complexity:304

Purity/Quality:

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

3-sulfanyl-1,2-benzothiazole-1,1-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=S)NS2(=O)=O
General Description 1,2-Benzisothiazole-3(2H)-thione 1,1-dioxide (thiosaccharin) is a planar molecule that forms intermolecular hydrogen bonds via N-H···O interactions, as revealed by its orthorhombic crystal structure (space group *Fdd2*). It exhibits modifications in the thioamide functional group when deprotonated to form the thiosaccharinate anion (tsac), which participates in coordination complexes with metals like zinc. These complexes demonstrate potential anti-cancer properties by inhibiting cell proliferation. Additionally, thiosaccharin forms supramolecular assemblies through extensive hydrogen-bonding networks, as seen in its ionic adducts with amines. The infrared spectra of thiosaccharin correlate with its crystallographic data, particularly in the N-H and SO₂ stretching regions, distinguishing it from saccharin.

Technology Process of Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

There total 2 articles about Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide 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: 75.0%