Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester

Base Information

• Chemical Name: Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester
• CAS No.: 165549-92-8
• Molecular Formula: C13H16 Cl N O3 S
• Molecular Weight: 301.789
• UNII: YAD96E7ZDX
• DSSTox Substance ID: DTXSID40937104
• Nikkaji Number: J726.343K
• Mol file: 165549-92-8.mol

Synonyms:UC33;YAD96E7ZDX;NSC650059;UNII-YAD96E7ZDX;165549-92-8;NSC 650059;UC-33;Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester;o-Isopropyl (4-chloro-3-(2-oxo-propoxy)phenyl)thiocarbamate;(4-Chloro-3-(2-oxo-propoxy)-phenyl)-thiocarbamic acid O-isopropyl ester;Carbamothioic acid deriv.;[4-Chloro-3-(2-oxo-propoxy)-phenyl]-thiocarbamic acid O-isopropyl ester;Carbamothioic acid, [4-chloro-3-(2-oxopropoxy)phenyl]-, O-(1-methylethyl) ester;DTXSID40937104;O-isopropyl N-(3-acetonyloxy-4-chloro-phenyl)carbamothioate;O-Propan-2-yl hydrogen [4-chloro-3-(2-oxopropoxy)phenyl]carbonimidothioate;O-PROPAN-2-YL N-(4-CHLORO-3-(2-OXOPROPOXY)PHENYL)CARBAMOTHIOATE;(4-CHLORO-3-(2-OXO-PROPOXY)PHENYL)THIOCARBAMIC ACID O-ISOPROPYL ESTER

Chemical Property of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester

Chemical Property:

• Vapor Pressure: 3.41E-06mmHg at 25°C
• Boiling Point: 387°Cat760mmHg
• Flash Point: 187.8°C
• Density: 1.277g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 301.0539422
• Heavy Atom Count: 19
• Complexity: 325

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)OCC(=O)C