Benzoic acid, 2-chloro-5-((methoxythioxomethyl)amino)-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-((methoxythioxomethyl)amino)-, 1-methylethyl ester
• CAS No.: 135812-33-8
• Molecular Formula: C12H14ClNO3S
• Molecular Weight: 287.7625
• DSSTox Substance ID: DTXSID40159541

Synonyms:135812-33-8;Benzoic acid, 2-chloro-5-((methoxythioxomethyl)amino)-, 1-methylethyl ester;Benzoic acid, 2-chloro-5-[(methoxythioxomethyl)amino]-, 1-methylethyl ester;DTXSID40159541;isopropyl 2-chloro-5-(methoxycarbothioylamino)benzoate

Chemical Property of Benzoic acid, 2-chloro-5-((methoxythioxomethyl)amino)-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 2.09E-05mmHg at 25°C
• Boiling Point: 361.3°C at 760 mmHg
• Flash Point: 172.3°C
• Density: 1.308g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 287.0382922
• Heavy Atom Count: 18
• Complexity: 312

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(=O)C1=C(C=CC(=C1)NC(=S)OC)Cl

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