Benzoic acid, 2-chloro-5-(((1-methylpropoxy)thioxomethyl)amino)-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((1-methylpropoxy)thioxomethyl)amino)-, 1,1-dimethylethyl ester
• CAS No.: 165549-97-3
• Molecular Formula: C16H22 Cl N O3 S
• Molecular Weight: 343.8688
• DSSTox Substance ID: DTXSID60937106

Synonyms:165549-97-3;Benzoic acid, 2-chloro-5-(((1-methylpropoxy)thioxomethyl)amino)-, 1,1-dimethylethyl ester;Benzoic acid, 2-chloro-5-[[(1-methylpropoxy)thioxomethyl]amino]-, 1,1-dimethylethyl ester;DTXSID60937106;tert-butyl 2-chloro-5-(sec-butoxycarbothioylamino)benzoate;tert-Butyl 5-({[(butan-2-yl)oxy](sulfanyl)methylidene}amino)-2-chlorobenzoate

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

Chemical Property:

• Vapor Pressure: 7.35E-07mmHg at 25°C
• Boiling Point: 407.8°Cat760mmHg
• Flash Point: 200.4°C
• PSA: 86.69000
• Density: 1.202g/cm³
• LogP: 5.02770
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 343.1008924
• Heavy Atom Count: 22
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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