4-(Methylthio)aniline

Base Information

• Chemical Name: 4-(Methylthio)aniline
• CAS No.: 104-96-1
• Molecular Formula: C7H9NS
• Molecular Weight: 139.221
• Hs Code.: 29309090
• European Community (EC) Number: 203-256-3
• NSC Number: 75842
• DSSTox Substance ID: DTXSID7059309
• Nikkaji Number: J28.395I
• Wikidata: Q27454756
• Mol file: 104-96-1.mol

Synonyms:thioanisidine

Chemical Property of 4-(Methylthio)aniline

Chemical Property:

• Appearance/Colour: clear orange to brown-red liquid
• Vapor Pressure: 0.00578mmHg at 25°C
• Melting Point: 156 - 158oC
• Refractive Index: n20/D 1.639(lit.)
• Boiling Point: 273.3 °C at 760 mmHg
• PKA: 4.35(at 25℃)
• Flash Point: 119.1 °C
• PSA: 51.32000
• Density: 1.12 g/cm³
• LogP: 2.57190
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Stench
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.04557046
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-(Methylthio)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)N

Technology Process of 4-(Methylthio)aniline

There total 52 articles about 4-(Methylthio)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: 99.5%

1-methylthio-4-nitro-benzene (701-57-5) → 4-methylsulfanylaniline (104-96-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In toluene; at 180 ℃; for 18.3333h; under 22502.3 Torr; Temperature; Kinetics; Catalytic behavior; Autoclave;

DOI:10.1016/j.apcata.2015.02.043

Reference yield: 96.0%

(4-bromophenyl)thioanisole (104-95-0) → 4-methylsulfanylaniline (104-96-1)

Guidance literature:

With bis(triphenylphosphine)nickel(II) chloride; lithium hexamethyldisilazane; In toluene; at 100 ℃; for 2h; Glovebox; Sealed tube;

DOI:10.1021/acs.organomet.8b00567

Reference yield: 95.0%

α-methyl-4-(methylthio)benzenemethanol (32293-73-5) → 4-methylsulfanylaniline (104-96-1)

Guidance literature:

With sodium azide; trifluoroacetic acid; In hexane; at 40 ℃; for 4h; Sealed tube;

DOI:10.1038/s41557-018-0156-y

upstream raw materials:

1-methylthio-4-nitro-benzene

4'-(methylthio)acetanilide

N,N'-bis-(4-methylsulfanyl-phenyl)-hydrazine

diethylamine

Downstream raw materials:

p-(methylthio)-N,N-bis(2-hydroxyethyl)aniline

N-(4-methylsulfanyl-phenyl)-maleamic acid

4'-(methylthio)acetanilide

2-chloro-N-(4-(methylthio)phenyl)acetamide