Carbanilide, N-methylthio-

Base Information

• Chemical Name: Carbanilide, N-methylthio-
• CAS No.: 4949-93-3
• Molecular Formula: C14H14N2S
• Molecular Weight: 242.345
• NSC Number: 97445
• DSSTox Substance ID: DTXSID90350384
• Nikkaji Number: J142.119K
• ChEMBL ID: CHEMBL1560407
• Mol file: 4949-93-3.mol

Synonyms:1-methyl-1,3-diphenylthiourea;Carbanilide, N-methylthio-;4949-93-3;N-Methyl-N,N'-diphenylthiourea;NSC97445;Thiourea, N-methyl-N,N'-diphenyl-;CBMicro_013566;NCIOpen2_006108;MLS000699515;CHEMBL1560407;SCHEMBL10394940;DTXSID90350384;WFICXIZBSZGSGV-UHFFFAOYSA-N;HMS2583C07;N-Methyl-N,N'-diphenylthiourea #;SMSF0003389;NSC-97445;AKOS003440878;CB05451;SMR000225154;BIM-0013523.P001;AE-848/32755062

Chemical Property of Carbanilide, N-methylthio-

Chemical Property:

• Vapor Pressure: 4.08E-05mmHg at 25°C
• Boiling Point: 351.5°C at 760 mmHg
• Flash Point: 166.4°C
• PSA: 47.36000
• Density: 1.234g/cm³
• LogP: 3.59280
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.08776963
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C(=S)NC2=CC=CC=C2

Technology Process of Carbanilide, N-methylthio-

There total 4 articles about Carbanilide, N-methylthio- 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: 100.0%

phenyl isothiocyanate (103-72-0) + N-methylaniline (100-61-8) → 1-methyl-1,3-diphenyl-thiourea (4949-93-3)

Guidance literature:

In ethanol; at 25 - 30 ℃; for 1h;

DOI:10.1055/s-0035-1562474

Reference yield: 73.0%

phenyl isothiocyanate (103-72-0) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → 1-methyl-1,3-diphenyl-thiourea (4949-93-3)

Guidance literature:

With nitrogen-doped ZnO nanorods; air; In ethanol; for 24h; Irradiation; Green chemistry;

DOI:10.1039/d0nj02197k

Reference yield:

ethanol (64-17-5) + phenyl isothiocyanate (103-72-0) + N-methylaniline (100-61-8) → 1-methyl-1,3-diphenyl-thiourea (4949-93-3)

Guidance literature:

upstream raw materials:

ethanol

phenyl isothiocyanate

N-methylaniline

N,N-dimethyl-aniline

Downstream raw materials:

N,N-diphenylthiourea

N-methylaniline

phenyl isothiocyanate

N,N-di-o-tolylthiourea