Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
• CAS No.: 135812-35-0
• Molecular Formula: C13H16ClNO3S
• Molecular Weight: 301.789
• DSSTox Substance ID: DTXSID60159543
• Mol file: 135812-35-0.mol

Synonyms:135812-35-0;Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester;Benzoic acid, 2-chloro-5-[(ethoxythioxomethyl)amino]-, 1-methylethyl ester;SCHEMBL9196778;DTXSID60159543;isopropyl 2-chloro-5-(ethoxycarbothioylamino)benzoate

Chemical Property of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 7.68E-06mmHg at 25°C
• Boiling Point: 375.6°Cat760mmHg
• Flash Point: 181°C
• Density: 1.276g/cm³
• XLogP3: 3.7
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)C