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

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, ethyl ester
• CAS No.: 135813-24-0
• Molecular Formula: C13H16ClNO3S
• Molecular Weight: 301.789
• DSSTox Substance ID: DTXSID40159566
• ChEMBL ID: CHEMBL100054
• Mol file: 135813-24-0.mol

Synonyms:135813-24-0;Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, ethyl ester;Benzoic acid, 2-chloro-5-[[(1-methylethoxy)thioxomethyl]amino]-, ethyl ester;CHEMBL100054;DTXSID40159566;ethyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate

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

Chemical Property:

• Vapor Pressure: 7.68E-06mmHg at 25°C
• Boiling Point: 375.6°C at 760 mmHg
• Flash Point: 181°C
• Density: 1.276g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 301.0539422
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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