Benzoic acid, 2-chloro-5-((1H-pyrrol-2-ylthioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-((1H-pyrrol-2-ylthioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester
• CAS No.: 178870-39-8
• Molecular Formula: C19H23ClN2O2S
• Molecular Weight: 378.9161
• DSSTox Substance ID: DTXSID30170583
• Mol file: 178870-39-8.mol

Synonyms:178870-39-8;Benzoic acid, 2-chloro-5-((1H-pyrrol-2-ylthioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester;Benzoic acid, 2-chloro-5-[(1H-pyrrol-2-ylthioxomethyl)amino]-, 2-methyl-1-(1-methylethyl)propyl ester;DTXSID30170583;(1-isopropyl-2-methyl-propyl) 2-chloro-5-(1H-pyrrole-2-carbothioylamino)benzoate

Chemical Property of Benzoic acid, 2-chloro-5-((1H-pyrrol-2-ylthioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester

Chemical Property:

• Vapor Pressure: 2.59E-10mmHg at 25°C
• Boiling Point: 504.7°Cat760mmHg
• Flash Point: 259.1°C
• Density: 1.244g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 378.1168768
• Heavy Atom Count: 25
• Complexity: 464

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CN2)Cl

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