Methylethyl 2-chloro-5-((phenylthioxomethyl)amino)benzoate

Base Information

• Chemical Name: Methylethyl 2-chloro-5-((phenylthioxomethyl)amino)benzoate
• CAS No.: 135812-52-1
• Molecular Formula: C17H16ClNO2S
• Molecular Weight: 333.8324
• DSSTox Substance ID: DTXSID60159548
• ChEMBL ID: CHEMBL320024

Synonyms:135812-52-1;Methylethyl 2-chloro-5-((phenylthioxomethyl)amino)benzoate;Benzoic acid, 2-chloro-5-((phenylthioxomethyl)amino)-, 1-methylethyl ester;Methylethyl 2-chloro-5-[(phenylthioxomethyl)amino]benzoate;Benzoic acid, 2-chloro-5-[(phenylthioxomethyl)amino]-, 1-methylethyl ester;CHEMBL320024;SCHEMBL9198151;DTXSID60159548;isopropyl 5-(benzenecarbonothioylamino)-2-chloro-benzoate

Chemical Property of Methylethyl 2-chloro-5-((phenylthioxomethyl)amino)benzoate

Chemical Property:

• Vapor Pressure: 4.42E-08mmHg at 25°C
• Boiling Point: 444°Cat760mmHg
• Flash Point: 222.3°C
• Density: 1.286g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 333.0590276
• Heavy Atom Count: 22
• Complexity: 396

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2)Cl

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