4-(Methylthio)phenyl isocyanate

Base Information Edit

Chemical Name:4-(Methylthio)phenyl isocyanate
CAS No.:1632-84-4
Molecular Formula:C8H7 N O S
Molecular Weight:165.216
Hs Code.:29309099
European Community (EC) Number:626-094-9
DSSTox Substance ID:DTXSID20369843
Nikkaji Number:J265.462H
Mol file:1632-84-4.mol

Synonyms:1632-84-4;4-(Methylthio)phenyl isocyanate;1-isocyanato-4-(methylthio)benzene;4-(METHYLTHIO)PHENylisoCYANATE;1-isocyanato-4-methylsulfanylbenzene;1-isocyanato-4-(methylsulfanyl)benzene;4-METHYLTHIOPHENYL ISOCYANATE;4-(Methylsulfanyl)phenyl isocyanate;p-methylthiophenylisocyanate;4-methylthiophenylisocyanate;p-methylthiophenyl isocyanate;SCHEMBL546217;DTXSID20369843;(4-isocyanatophenyl)(methyl)sulfane;GEO-01965;MFCD00013878;STK504627;1-isocyanato-4-methylsulfanyl-benzene;AKOS005171738;4-(Methylthio)phenyl isocyanate, 97%;Benzene, 1-isocyanato-4-(methylthio)-;LS-02814;FT-0619089;C80083;EN300-146743;W-200153

Suppliers and Price of 4-(Methylthio)phenyl isocyanate

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

Matrix Scientific
1-Isocyanato-4-(methylthio)benzene
500mg
$ 126.00

American Custom Chemicals Corporation
4-(METHYLTHIO)PHENYL ISOCYANATE 95.00%
5G
$ 1155.00

American Custom Chemicals Corporation
4-(METHYLTHIO)PHENYL ISOCYANATE 95.00%
1G
$ 693.00

American Custom Chemicals Corporation
4-(METHYLTHIO)PHENYL ISOCYANATE 95.00%
0.5G
$ 638.00

AHH
4-(Methylsulfanyl)phenylisocyanate 97%
100g
$ 540.00

Total 18 raw suppliers

Chemical Property of 4-(Methylthio)phenyl isocyanate Edit

Chemical Property:

Appearance/Colour:clear yellow to orange liquid
Vapor Pressure:0.0207mmHg at 25°C
Refractive Index:n20/D 1.606(lit.)
Boiling Point:251.2°Cat760mmHg
Flash Point:105.7°C
PSA：54.73000
Density:1.11g/cm³
LogP:2.37580
Sensitive.:Moisture Sensitive
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.02483502
Heavy Atom Count:11
Complexity:158

Purity/Quality:

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

1-Isocyanato-4-(methylthio)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22-37/38-41-42
Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)N=C=O
Uses (4-Isocyanatophenyl)(methyl)sulfane is a useful research intermediate for various organic synthetic transformations. It is used in the preparation of isocorydine derivatives that exhibits anticancer properties.

Technology Process of 4-(Methylthio)phenyl isocyanate

There total 4 articles about 4-(Methylthio)phenyl isocyanate 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:

: N-Hydroxy-4-methylsulfanyl-benzamide

: 1632-84-4
4-(methylthio)phenyl isocyanate

Guidance literature:: N-Hydroxy-4-methylsulfanyl-benzamide; With Carbonyldiimidazole; In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

In acetonitrile; at 60 ℃; Inert atmosphere;
DOI:10.1021/ol9023387

Reference yield:

: 123-09-1
4-chlorophenyl methyl sulfide

: 917-61-3
sodium isocyanate

: 1632-84-4
4-(methylthio)phenyl isocyanate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; t-BuBrettPhos; Tris(3,6-dioxaheptyl)amine; In toluene; at 110 ℃; for 16h; Inert atmosphere;
DOI:10.1021/ol400369n