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

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2-methyl-2-propenyl ester
• CAS No.: 178869-93-7
• Molecular Formula: C17H16ClNO3S
• Molecular Weight: 349.8318
• DSSTox Substance ID: DTXSID40170554
• Nikkaji Number: J726.309K
• Mol file: 178869-93-7.mol

Synonyms:178869-93-7;Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2-methyl-2-propenyl ester;Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]-, 2-methyl-2-propenyl ester;DTXSID40170554;UC-217;2-methylallyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate

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

Chemical Property:

• Vapor Pressure: 6.02E-09mmHg at 25°C
• Boiling Point: 468.4°Cat760mmHg
• Flash Point: 237.1°C
• PSA: 90.60000
• Density: 1.298g/cm³
• LogP: 4.98240
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 349.0539422
• Heavy Atom Count: 23
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(=C)C

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