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

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester
• CAS No.: 135812-36-1
• Molecular Formula: C16H22ClNO3S
• Molecular Weight: 343.8688
• DSSTox Substance ID: DTXSID20159544
• Mol file: 135812-36-1.mol

Synonyms:135812-36-1;Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester;Benzoic acid, 2-chloro-5-[[(pentyloxy)thioxomethyl]amino]-, 1-methylethyl ester;SCHEMBL9202904;DTXSID20159544;isopropyl 2-chloro-5-(pentoxycarbothioylamino)benzoate

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

Chemical Property:

• Vapor Pressure: 3.57E-07mmHg at 25°C
• Boiling Point: 417.3°C at 760 mmHg
• Flash Point: 206.2°C
• Density: 1.202g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 343.1008924
• Heavy Atom Count: 22
• Complexity: 365

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: CCCCCOC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)C

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