Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester
• CAS No.: 135813-29-5
• Molecular Formula: C15H20ClNO3S
• Molecular Weight: 329.8422
• DSSTox Substance ID: DTXSID30159570

Synonyms:135813-29-5;Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester;Benzoic acid, 2-chloro-5-[[(1-methylethoxy)thioxomethyl]amino]-, butyl ester;DTXSID30159570;butyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate

Chemical Property of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, butyl ester

Chemical Property:

• Vapor Pressure: 1E-06mmHg at 25°C
• Boiling Point: 403.6°C at 760 mmHg
• Flash Point: 197.9°C
• Density: 1.223g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 329.0852424
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)Cl

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