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

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-((((1-methylethyl)thio)thioxomethyl)amino)-, 1-methylethyl ester
• CAS No.: 165549-73-5
• Molecular Formula: C14H18 Cl N O2 S2
• Molecular Weight: 331.8812
• DSSTox Substance ID: DTXSID20167967
• Mol file: 165549-73-5.mol

Synonyms:165549-73-5;Benzoic acid, 2-chloro-5-((((1-methylethyl)thio)thioxomethyl)amino)-, 1-methylethyl ester;Benzoic acid, 2-chloro-5-[[[(1-methylethyl)thio]thioxomethyl]amino]-, 1-methylethyl ester;DTXSID20167967;isopropyl 2-chloro-5-(isopropylsulfanylcarbothioylamino)benzoate

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

Chemical Property:

• Vapor Pressure: 2.67E-07mmHg at 25°C
• Boiling Point: 421.1°Cat760mmHg
• Flash Point: 208.5°C
• Density: 1.271g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 331.0467489
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

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)SC(C)C)Cl