Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, cyclopropylmethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, cyclopropylmethyl ester
• CAS No.: 135813-19-3
• Molecular Formula: C15H18ClNO3S
• Molecular Weight: 327.8263
• DSSTox Substance ID: DTXSID60159563
• ChEMBL ID: CHEMBL100845
• Mol file: 135813-19-3.mol

Synonyms:135813-19-3;Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, cyclopropylmethyl ester;Benzoic acid, 2-chloro-5-[[(1-methylethoxy)thioxomethyl]amino]-, cyclopropylmethyl ester;CHEMBL100845;DTXSID60159563;cyclopropylmethyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate

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

Chemical Property:

• Vapor Pressure: 4.8E-07mmHg at 25°C
• Boiling Point: 413.4°Cat760mmHg
• Flash Point: 203.8°C
• Density: 1.315g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 327.0695923
• Heavy Atom Count: 21
• Complexity: 387

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC2CC2

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