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

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2-propynyl ester
• CAS No.: 135839-77-9
• Molecular Formula: C14H14ClNO3S
• Molecular Weight: 311.7839
• DSSTox Substance ID: DTXSID10159578

Synonyms:135839-77-9;Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2-propynyl ester;Benzoic acid, 2-chloro-5-[[(1-methylethoxy)thioxomethyl]amino]-, 2-propynyl ester;DTXSID10159578;prop-2-ynyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate

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

Chemical Property:

• Vapor Pressure: 3.52E-07mmHg at 25°C
• Boiling Point: 417.5°Cat760mmHg
• Flash Point: 206.3°C
• Density: 1.316g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 311.0382922
• Heavy Atom Count: 20
• Complexity: 405

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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