(3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester

Base Information

• Chemical Name: (3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
• CAS No.: 165549-68-8
• Molecular Formula: C15H21 Cl N2 O2 S
• Molecular Weight: 328.8574
• NSC Number: 645542
• UNII: 7QAV3D24F3
• ChEMBL ID: CHEMBL1994315
• Mol file: 165549-68-8.mol

Synonyms:UC-32;UC32;UC 32;7QAV3D24F3;NSC 645542;UNII-7QAV3D24F3;(3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester;165549-68-8;NSC645542;NSC-645542;Carbamothioic acid, (4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-, O-(1-methylethyl) ester;O-(1-Methylethyl) N-(4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)carbamothioate;[3-(tert-Butoxyimino-methyl)-4-chloro-phenyl]-thiocarbamic acid, O-isopropyl ester;O-(1-Methylethyl) N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]carbamothioate;Carbamothioic acid, [4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) ester;CHEMBL1994315;Carbamothioic acid,1-dimethylethoxy) iminomethyl]-, O-(1-methylethyl) ester;O-isopropyl N-[3-[(E)-tert-butoxyiminomethyl]-4-chloro-phenyl]carbamothioate;Carbamothioic acid, N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) ester

Chemical Property of (3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 395.056°C at 760 mmHg
• Flash Point: 192.723°C
• Density: 1.146g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 328.1012268
• Heavy Atom Count: 21
• Complexity: 369

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C=NOC(C)(C)C
• Isomeric SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)/C=N/OC(C)(C)C