O-Isobutyl methylthiocarbamate

Base Information

• Chemical Name: O-Isobutyl methylthiocarbamate
• CAS No.: 14128-37-1
• Molecular Formula: C₆H₁₃NOS
• Molecular Weight: 147.241
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00161620
• Nikkaji Number: J591.522H
• Mol file: 14128-37-1.mol

Synonyms:IBNMTCM;O-isobutyl-N-methylthionocarbamate

Chemical Property of O-Isobutyl methylthiocarbamate

Chemical Property:

• Vapor Pressure: 1.88mmHg at 25°C
• Boiling Point: 165.3°Cat760mmHg
• Flash Point: 53.8°C
• PSA: 60.39000
• Density: 0.994g/cm³
• LogP: 1.57460
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 147.07178521
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=S)NC

Technology Process of O-Isobutyl methylthiocarbamate

There total 1 articles about O-Isobutyl methylthiocarbamate 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:

sodium isobutoxide (13259-29-5) + methyl thioisocyanate (556-61-6) → O-isobutyl-N-methylthionocarbamate (14128-37-1)

Guidance literature:

With 2-methyl-propan-1-ol;

DOI:10.1021/jo01287a114

upstream raw materials:

sodium isobutoxide

methyl thioisocyanate