(4-methylphenyl) (1E)-N-hydroxy-2-methylpropanimidothioate

Base Information

• Chemical Name: (4-methylphenyl) (1E)-N-hydroxy-2-methylpropanimidothioate
• CAS No.: 713-77-9
• Molecular Formula: C₁₁H₁₅NOS
• Molecular Weight: 209.312
• DSSTox Substance ID: DTXSID60419472
• Mol file: 713-77-9.mol

Synonyms:NSC203260;713-77-9;DTXSID60419472

Chemical Property of (4-methylphenyl) (1E)-N-hydroxy-2-methylpropanimidothioate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 345.4°Cat760mmHg
• Flash Point: 162.7°C
• Density: 1.07g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.08743528
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC(=NO)C(C)C
• Isomeric SMILES: CC1=CC=C(C=C1)S/C(=N/O)/C(C)C

Technology Process of (4-methylphenyl) (1E)-N-hydroxy-2-methylpropanimidothioate

There total 1 articles about (4-methylphenyl) (1E)-N-hydroxy-2-methylpropanimidothioate 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:

isobutyraldehyde oxime (151-00-8) + para-thiocresol (106-45-6) → S-p-Tolyl-isobutyrothiohydroximat (713-77-9)

Guidance literature:

Multistep reaction; (i) Cl₂, (ii) /BRN= 605761/, Et₃N;

DOI:10.1139/v64-352

upstream raw materials:

isobutyraldehyde oxime

para-thiocresol