Benzoic acid, 2-chloro-5-(((3-methyl-2-furanyl)thioxomethyl)amino)-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((3-methyl-2-furanyl)thioxomethyl)amino)-, 1-methylethyl ester
• CAS No.: 178870-22-9
• Molecular Formula: C16H16ClNO3S
• Molecular Weight: 337.8211
• DSSTox Substance ID: DTXSID20170577
• Mol file: 178870-22-9.mol

Synonyms:178870-22-9;Benzoic acid, 2-chloro-5-(((3-methyl-2-furanyl)thioxomethyl)amino)-, 1-methylethyl ester;Benzoic acid, 2-chloro-5-[[(3-methyl-2-furanyl)thioxomethyl]amino]-, 1-methylethyl ester;DTXSID20170577;isopropyl 2-chloro-5-[(3-methylfuran-2-carbothioyl)amino]benzoate

Chemical Property of Benzoic acid, 2-chloro-5-(((3-methyl-2-furanyl)thioxomethyl)amino)-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 7.05E-08mmHg at 25°C
• Boiling Point: 438.2°Cat760mmHg
• Flash Point: 218.8°C
• Density: 1.306g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 337.0539422
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C

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