2-[4-(Methylsulfanyl)phenyl]aniline

Base Information

Chemical Name:2-[4-(Methylsulfanyl)phenyl]aniline
CAS No.:178817-11-3
Molecular Formula:C13H13NS
Molecular Weight:215.319
Hs Code.:2930909090
DSSTox Substance ID:DTXSID60375009
Wikidata:Q82163561
Mol file:178817-11-3.mol

Synonyms:2-[4-(Methylsulfanyl)phenyl]aniline;178817-11-3;2-(4-methylsulfanylphenyl)aniline;4'-(Methylthio)-[1,1'-biphenyl]-2-amine;4'-Methylsulfanyl-biphenyl-2-ylamine;4'-(methylsulfanyl)[1,1'-biphenyl]-2-amine;SCHEMBL397063;2-(4-methylthiophenyl)aniline;DTXSID60375009;XHACECRHUMLJDO-UHFFFAOYSA-N;MFCD04117406;AKOS004118805;SB78985;BS-27392;BB 0223625;CS-0206623;4 inverted exclamation marka-(Methylthio)[1,1 inverted exclamation marka-biphenyl]-2-amine

Suppliers and Price of 2-[4-(Methylsulfanyl)phenyl]aniline

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
4''-Methylsulfanyl-biphenyl-2-ylamine
100mg
$ 60.00

Crysdot
4'-(Methylthio)-[1,1'-biphenyl]-2-amine 95+%
25g
$ 565.00

AK Scientific
2-[4-(Methylsulfanyl)phenyl]aniline
1g
$ 131.00

Total 4 raw suppliers

Chemical Property of 2-[4-(Methylsulfanyl)phenyl]aniline

Chemical Property:

PSA：51.32000
LogP:4.23890
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:215.07687059
Heavy Atom Count:15
Complexity:187

Purity/Quality:

99% ^*data from raw suppliers

4''-Methylsulfanyl-biphenyl-2-ylamine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)C2=CC=CC=C2N

Technology Process of 2-[4-(Methylsulfanyl)phenyl]aniline

There total 2 articles about 2-[4-(Methylsulfanyl)phenyl]aniline 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: 96.0%

: 615-43-0
2-iodophenylamine

: 98546-51-1
(4-thiomethoxyphenyl)boronic acid

: 178817-11-3
4′-(methylthio)-[1,1′-biphenyl]-2-amine

Guidance literature:: 2-iodophenylamine; (4-thiomethoxyphenyl)boronic acid; With potassium carbonate; In 1,2-dimethoxyethane; water; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

With bis-triphenylphosphine-palladium(II) chloride; In 1,2-dimethoxyethane; water; at 80 ℃; for 12h; Inert atmosphere; Schlenk technique;
DOI:10.1002/anie.201510533

Reference yield: 64.0%

: 98546-51-1
(4-thiomethoxyphenyl)boronic acid

: 615-36-1
2-bromoaniline

: 178817-11-3
4′-(methylthio)-[1,1′-biphenyl]-2-amine

Guidance literature:: (4-thiomethoxyphenyl)boronic acid; 2-bromoaniline; With potassium carbonate; In 1,2-dimethoxyethane; water; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

With dichlorobis(tri-O-tolylphosphine)palladium; In 1,2-dimethoxyethane; water; at 80 ℃; for 12h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.8b02405