N-Phenylthioformamide

Base Information

• Chemical Name: N-Phenylthioformamide
• CAS No.: 637-51-4
• Molecular Formula: C7H7NS
• Molecular Weight: 137.205
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70213100
• Nikkaji Number: J49.552B
• Wikidata: Q27451057
• Mol file: 637-51-4.mol

Synonyms:N-Phenylthioformamide;Thioformanilide;N-phenylmethanethioamide;FORMANILIDE, THIO-;637-51-4;Methanethioamide, N-phenyl-;BRN 2075374;4-12-00-00369 (Beilstein Handbook Reference);N-Phenylformthioamide;Phenylthioformamide #;N-phenylcarbothioamide;SCHEMBL57469;'PHENYL ISOTHIOCYANATE;SCHEMBL24422878;DTXSID70213100;UNRRVOATHRPYDX-UHFFFAOYSA-N;AKOS006239346;LS-69651;Q27451057

Chemical Property of N-Phenylthioformamide

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Boiling Point: 213.8°C at 760 mmHg
• Flash Point: 83.1°C
• PSA: 51.16000
• Density: 1.202g/cm³
• LogP: 2.27620
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 137.02992040
• Heavy Atom Count: 9
• Complexity: 86.9

Purity/Quality:

99% ^*data from raw suppliers

THIO FORMANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC=S

Technology Process of N-Phenylthioformamide

There total 22 articles about N-Phenylthioformamide 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: 99.0%

ethyl thioformate (29392-46-9) + aniline (62-53-3) → isothiocyanatobenzene (637-51-4)

Guidance literature:

With sulfuric acid; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1218343

Reference yield: 97.0%

phenyl isothiocyanate (103-72-0) → isothiocyanatobenzene (637-51-4)

Guidance literature:

With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; 2-methyltetrahydrofuran; at 0 - 20 ℃; chemoselective reaction; Green chemistry;

DOI:10.1039/c8ob02312c

Reference yield: 88.0%

N1,N1-dimethyl-N2-phenylformamidine (1783-25-1) → isothiocyanatobenzene (637-51-4)

Guidance literature:

With hydrogen sulfide; In ethanol;

DOI:10.1055/s-1981-29425

upstream raw materials:

phenyl isocyanate

Phenylaminothioxoacetic Acid

dithioformic acid

phenyl isocyanate

Downstream raw materials:

N-thiobenzoyl benzamidine

benzenecarbothioamide

C₁₀H₁₅NSSi

3-phenyl-4H-indeno[2,1-d]thiazolium; bromide