3-Iodothioanisole

Base Information

Chemical Name:3-Iodothioanisole
CAS No.:130416-73-8
Molecular Formula:C7H7IS
Molecular Weight:250.103
Hs Code.:
DSSTox Substance ID:DTXSID30443800
Nikkaji Number:J380.967F
Wikidata:Q72484677
Mol file:130416-73-8.mol

Synonyms:3-Iodothioanisole;130416-73-8;1-iodo-3-methylsulfanylbenzene;Benzene, 1-iodo-3-(methylthio)-;3-methylthioiodobenzene;1-IODO-3-(METHYLSULFANYL)BENZENE;3-iodo-1-methylthiobenzene;Methyl[3-iodophenyl] sulfide;SCHEMBL1203597;DTXSID30443800;YCGZIDJUDNEVQI-UHFFFAOYSA-N;AKOS009319649;AC-16444;FT-0722405;EN300-645939;J-512709

Suppliers and Price of 3-Iodothioanisole

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

American Custom Chemicals Corporation
3-IODOTHIOANISOLE 95.00%
5G
$ 1249.13

AHH
3-Iodothioanisole 98%
5g
$ 650.00

Total 28 raw suppliers

Chemical Property of 3-Iodothioanisole

Chemical Property:

Vapor Pressure:0.014mmHg at 25°C
Refractive Index:1.671
Boiling Point:266.469 °C at 760 mmHg
Flash Point:114.957 °C
PSA：25.30000
Density:1.787 g/cm³
LogP:3.01310
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:249.93132
Heavy Atom Count:9
Complexity:85

Purity/Quality:

98% or more ^*data from raw suppliers

3-IODOTHIOANISOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC(=CC=C1)I

Technology Process of 3-Iodothioanisole

There total 9 articles about 3-Iodothioanisole 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: 95.0%

: 1783-81-9
3-methylmercaptoaniline

: 130416-73-8
3-iodothioanisole

Guidance literature:: 3-methylmercaptoaniline; With sulfuric acid; In acetonitrile; at 0 ℃; for 0.5h; Inert atmosphere;

With sodium nitrite; In water; acetonitrile; at 0 ℃; for 1h; Inert atmosphere;

With potassium iodide; In water; acetonitrile; at 0 - 20 ℃; for 1.08333h; Inert atmosphere;
DOI:10.1248/cpb.c13-00961

Reference yield: 88.0%

: 624-92-0
Dimethyldisulphide

: 1121-86-4
1-Fluoro-3-iodobenzene

: 130416-73-8
3-iodothioanisole

Guidance literature:: With potassium tert-butylate; In acetonitrile; at 50 ℃; for 6h; Sealed tube;
DOI:10.1016/j.jfluchem.2021.109778

Reference yield: 62.0%

: C₇H₇BF₃S^(1-)*K⁽¹⁺⁾

: 130416-73-8
3-iodothioanisole

Guidance literature:: With acetic acid; lithium iodide; In dimethyl sulfoxide; at 100 ℃; for 8h; Schlenk technique;
DOI:10.1002/chem.202003919