Isopolinate

Base Information

• Chemical Name: Isopolinate
• CAS No.: 3134-70-1
• Molecular Formula: C10H19 N O S
• Molecular Weight: 201.333
• European Community (EC) Number: 221-531-6
• UNII: 1S0RV2EY2V
• DSSTox Substance ID: DTXSID6058053
• Nikkaji Number: J217.289E
• Wikidata: Q27252815
• Mol file: 3134-70-1.mol

Synonyms:Isopolinate;3134-70-1;Isopolinate [ISO];S-propan-2-yl azepane-1-carbothioate;S-Isopropyl hexahydro-1H-azepine-1-carbothioate;EINECS 221-531-6;UNII-1S0RV2EY2V;1S0RV2EY2V;isopropylate;S-isopropyl azepane-1-carbothioate;BYRAM;SCHEMBL136736;DTXSID6058053;S-Isopropyl N,N-hexamethylenothiocarbamate;Q27252815;S-(1-METHYLETHYL) HEXAHYDRO-1H-AZEPINE-1-CARBOTHIOATE;1H-Azepine-1-carbothioic acid, hexahydro-, S-(1-methylethyl) ester;1H-AZEPINE-1-CARBOTHIOIC ACID, HEXAHYDRO-, S-ISOPROPYL ESTER;Hexahydro-1H-azepine-1-carbothioic acid S-(1-methylethyl) ester

Chemical Property of Isopolinate

Chemical Property:

• Vapor Pressure: 0.00221mmHg at 25°C
• Boiling Point: 289.3°Cat760mmHg
• PKA: -1.22±0.20(Predicted)
• Flash Point: 128.8°C
• PSA: 45.61000
• Density: 1.038g/cm³
• LogP: 3.06190
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.11873540
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SC(=O)N1CCCCCC1

Technology Process of Isopolinate

There total 1 articles about Isopolinate 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:

→ S-isopropyl hexahydro-1H-azepin-1-carbothioate (3134-70-1)

Guidance literature:

entspr.Imin, entspr.Cl-Verb.;

Refernces

• 1、 -. "Oxime ethers, the preparation thereof, compositions containing them and use thereof". . . Retrieved 2008/06/13.
• 2、 -. "Novel oxime ethers, the preparation thereof, compositions containing them and the use thereof". . . Retrieved 2008/06/13.