1-cyano-N-(4-fluorophenyl)methanethioamide

Base Information

• Chemical Name: 1-cyano-N-(4-fluorophenyl)methanethioamide
• CAS No.: 79174-47-3
• Molecular Formula: C₈H₅FN₂S
• Molecular Weight: 180.206
• NSC Number: 369317
• DSSTox Substance ID: DTXSID80369389
• Nikkaji Number: J267.449A
• ChEMBL ID: CHEMBL2003026
• Mol file: 79174-47-3.mol

Synonyms:79174-47-3;NSC369317;1-cyano-N-(4-fluorophenyl)methanethioamide;Maybridge4_002930;NCIMech_000027;CHEMBL2003026;SCHEMBL23483861;DTXSID80369389;HMS1529F04;CCG-1290;CCG-35360;N-(4-Fluorophenyl)cyanothioformamide;NSC-369317;NCGC00176398-01;NCI60_003400;PD011792;SR-01000643725-1;BRD-K03795096-001-01-0

Chemical Property of 1-cyano-N-(4-fluorophenyl)methanethioamide

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Boiling Point: 256°Cat760mmHg
• Flash Point: 108.6°C
• PSA: 67.91000
• Density: 1.408g/cm³
• LogP: 2.16158
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.01574750
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)C#N)F

Technology Process of 1-cyano-N-(4-fluorophenyl)methanethioamide

There total 2 articles about 1-cyano-N-(4-fluorophenyl)methanethioamide 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: 37.0%

N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-fluoroaniline → N-(4-fluorophenyl)cyanothioformamide (79174-47-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; 1) 0 deg C, 30 min; 2) 0 deg C --> room temperature, 15 h;

Reference yield:

potassium cyanide + 4-fluorophenyl isothiocyanate (1544-68-9) → N-(4-fluorophenyl)cyanothioformamide (79174-47-3)

Guidance literature:

In ethanol; water;

DOI:10.1016/j.jfluchem.2011.06.015

Reference yield:

4-(methylthio)phenyl isocyanate (1632-84-4) + N-(4-fluorophenyl)cyanothioformamide (79174-47-3) → 1-(4-fluorophenyl)-4-imino-3-(4-(methylthio)phenyl)-5-thioxoimidazolidin-2-one (1328894-40-1)

Guidance literature:

With triethylamine; In diethyl ether; for 0.25h;

DOI:10.1016/j.jfluchem.2011.06.015

upstream raw materials:

4-fluorophenyl isothiocyanate

Downstream raw materials:

1-(4-fluorophenyl)-4-imino-3-(4-(methylthio)phenyl)-5-thioxoimidazolidin-2-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 79174-47-3 N-(4-Fluorophenyl)cyanothioformamide

Send

Send

Metric Ton KG G Pound L ML

Send

Send