methyl N-phenylbenzenecarboximidothioate

Base Information

• Chemical Name: methyl N-phenylbenzenecarboximidothioate
• CAS No.: 6780-43-4
• Molecular Formula: C14H13NS
• Molecular Weight: 227.33
• DSSTox Substance ID: DTXSID00355865,DTXSID701183692
• Nikkaji Number: J687.454A

Synonyms:methyl N-phenylbenzenecarboximidothioate;6780-43-4;Thiobenzimidic acid, N-phenyl-, methyl ester;AG-664/01296064;SCHEMBL11373651;DTXSID00355865;OCGKZISWUGOYFH-CCEZHUSRSA-N;DTXSID701183692;methyl N-phenylbenzenecarbimidothioate;AKOS000514638;Benzenecarboximidothioic acid, N-phenyl-, methyl ester, (E)-;52019-85-9

Chemical Property of methyl N-phenylbenzenecarboximidothioate

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.07687059
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=NC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of methyl N-phenylbenzenecarboximidothioate

There total 12 articles about methyl N-phenylbenzenecarboximidothioate 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: 56.0%

methyl dithiobenzoate (2168-78-7) + Phenyl azide (622-37-7) → S-methyl N-phenylbenzenecarboximidothioate (6780-43-4,52019-85-9)

Guidance literature:

at 80 ℃; for 24h;

DOI:10.1002/hlca.19950780609

Reference yield: 56.0%

methyl dithiobenzoate (2168-78-7) + 2,2,4,4-tetramethyl-3-thioxocyclobutanone (10181-59-6) + Phenyl azide (622-37-7) → 1,1,3,3,7,7,9,9-Octamethyl-11-phenyl-5,10-dithia-11-azadispiro<3.1.3.2>undecan-2,8-dion (151698-99-6) + (E)-<2,2,4,4-Tetramethyl-1-(methyldithio)-3-oxocyclobutyl>-N-phenylthiobenzimidat + 1,1,3,3,7,7,9,9-octamethyl-5,10,11-trithiadispiro<3.1.3.2>undecane-2,8-dione (170963-72-1) + S-methyl N-phenylbenzenecarboximidothioate (6780-43-4,52019-85-9)

Guidance literature:

With 1,1-Diphenylmethanol; dithiobenzoic acid; at 80 ℃; for 8h; Product distribution; Mechanism; further aromatic azides and cyclobutane derivative;

DOI:10.1002/hlca.19950780609

Reference yield: 55.0%

2,2,4,4-tetramethyl-3-thioxocyclobutanone (10181-59-6) → 1,1,3,3,7,7,9,9-Octamethyl-11-phenyl-5,10-dithia-11-azadispiro<3.1.3.2>undecan-2,8-dion (151698-99-6) + 1,1,3,3,7,7,9,9-octamethyl-5,10,11-trithiadispiro<3.1.3.2>undecane-2,8-dione (170963-72-1) + S-methyl N-phenylbenzenecarboximidothioate (6780-43-4,52019-85-9)

Guidance literature:

With methyl dithiobenzoate; Phenyl azide; at 80 ℃; for 8h;

DOI:10.1002/hlca.19950780609

upstream raw materials:

diethyl ether

phenyl isothiocyanate

phenyl sodium

benzene

Downstream raw materials:

3,3-dimethyl-4-methylthio-1,4-diphenylazetidin-2-one

(μ-(phenyl)CN(phenyl))(μ-methylthiolate)diiron hexacarbonyl

3,3-dimethyl-1,4-diphenyl-azetidin-2-one

(3R,4R)-3-(3,4-Dimethoxy-phenyl)-1,4-diphenyl-azetidin-2-one

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