6-Chlorobenzoxazole-2(3H)-thione

Base Information Edit

Chemical Name:6-Chlorobenzoxazole-2(3H)-thione
CAS No.:22876-20-6
Molecular Formula:C7H4ClNOS
Molecular Weight:185.634
Hs Code.:29349990
European Community (EC) Number:245-282-8
UNII:MH9X2VT6FK
DSSTox Substance ID:DTXSID20177420
Nikkaji Number:J286.335I
ChEMBL ID:CHEMBL4859482
Mol file:22876-20-6.mol

Synonyms:22876-20-6;6-Chloro-2-benzoxazolethiol;6-Chloro-2-mercaptobenzoxazole;6-chloro-1,3-benzoxazole-2-thiol;6-Chlorobenzoxazole-2(3H)-thione;6-Chlorobenzo[d]oxazole-2(3H)-thione;6-chloro-3H-1,3-benzoxazole-2-thione;6-Chlorobenzo[d]oxazole-2-thiol;MH9X2VT6FK;6-Chloro-2-benzoxazolinethione;CHEMBL4859482;EINECS 245-282-8;6-Chloro-2-mercaptobenzo[d]oxazole;6-CHLOROBENZO(D)OXAZOLE-2-THIOL;6-CHLORO-2-MERCAPTOBENZO(D)OXAZOLE;2-Mercapto-6-chlorobenzoxazole;6-Chloro-benzooxazole-2-thiol;UNII-MH9X2VT6FK;6-Chlorobenzooxazole-2-thiol;SCHEMBL779231;DTXSID20177420;HAASPZUBSZGCKU-UHFFFAOYSA-N;HMS1787L13;6-Chloro-3H-benzoxazole-2-thione;BDBM50570903;MFCD01456482;STK501232;2(3H)-Benzoxazolethione, 6-chloro-;6-CHLORO-2-THIOXOBENZOXAZOLINE;AKOS000121585;AKOS000321423;AB07270;6-CHLORO-2(3H)-BENZOXAZOLETHIONE;AC-11459;AM803554;CS-16766;BB 0240851;CS-0103312;FT-0638261;EN300-17624;W10408;A816396;W-110553;Z56969312

Suppliers and Price of 6-Chlorobenzoxazole-2(3H)-thione

Supply Marketing:Edit

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
6-Chloro-2(3H)-benzoxazolethione
1g
$ 65.00

Matrix Scientific
6-Chloro-1,3-benzoxazole-2-thiol
500mg
$ 95.00

Frontier Specialty Chemicals
6-Chloro-2-benzoxazolethiol 98%
25g
$ 247.00

Frontier Specialty Chemicals
6-Chloro-2-benzoxazolethiol 98%
5g
$ 88.00

Crysdot
6-Chlorobenzo[d]oxazole-2(3H)-thione 95+%
100g
$ 495.00

Chemenu
6-chloro-1,3-benzoxazole-2-thiol 95%
100g
$ 468.00

Biosynth Carbosynth
6-Chloro-1,3-benzoxazole-2-thiol
2 g
$ 179.00

Biosynth Carbosynth
6-Chloro-1,3-benzoxazole-2-thiol
1 g
$ 105.00

Biosynth Carbosynth
6-Chloro-1,3-benzoxazole-2-thiol
10 g
$ 609.00

Biosynth Carbosynth
6-Chloro-1,3-benzoxazole-2-thiol
5 g
$ 358.00

Total 48 raw suppliers

Chemical Property of 6-Chlorobenzoxazole-2(3H)-thione Edit

Chemical Property:

Appearance/Colour:yellow to beige crystalline powder or needles
Vapor Pressure:0.00227mmHg at 25°C
Melting Point:229-232 °C
Refractive Index:1.723
Boiling Point:288.898 °C at 760 mmHg
PKA:10.23±0.20(Predicted)
Flash Point:128.521 °C
PSA：64.83000
Density:1.577 g/cm³
LogP:2.76990
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:184.9702126
Heavy Atom Count:11
Complexity:187

Purity/Quality:

98% ^*data from raw suppliers

6-Chloro-2(3H)-benzoxazolethione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1Cl)OC(=S)N2
Uses 6-Chloro-2(3H)-benzoxazolethione is used as a reactant in the synthesis of disulfide bond-containing ajoene analogs as quorum sensing inhibitors.

Technology Process of 6-Chlorobenzoxazole-2(3H)-thione

There total 17 articles about 6-Chlorobenzoxazole-2(3H)-thione 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: 98.9%

: 19932-84-4
6-chlorobenzo[d]oxazol-2(3H)-one

: 22876-20-6
6-chloro-2-mercaptobenzoxazole

Guidance literature:: 6-chlorobenzo[d]oxazol-2(3H)-one; With sodium hydroxide; In water; at 85 ℃; for 2h;

With carbon disulfide; at 30 - 135 ℃; for 0.00833333h; under 2250.23 Torr; Temperature; Pressure;

Reference yield: 95.0%

: 22876-20-6
6-chloro-2-mercaptobenzoxazole

Guidance literature:

Reference yield: 92.0%

: 140-89-6
potassium ethyl xanthogenate

: 28443-50-7
2-amino-5-chlorophenol

: 22876-20-6
6-chloro-2-mercaptobenzoxazole

Guidance literature:: potassium ethyl xanthogenate; 2-amino-5-chlorophenol; In PEG 400; at 165 ℃; for 0.1h; Microwave irradiation;

With acetic acid; In ethanol; water; PEG 400; pH=3 - 4;
DOI:10.1007/s00706-011-0551-1