1-Methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate

Base Information

• Chemical Name: 1-Methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
• CAS No.: 135812-34-9
• Deprecated CAS: 150825-79-9
• Molecular Formula: C14H18ClNO3S
• Molecular Weight: 315.8156
• NSC Number: 629243
• DSSTox Substance ID: DTXSID00159542
• Nikkaji Number: J554.607I
• Wikidata: Q27097870
• Metabolomics Workbench ID: 151801
• ChEMBL ID: CHEMBL440510
• Mol file: 135812-34-9.mol

Synonyms:2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoic acid;NSC 629243;NSC-629243;UC-38;Uniroyal Jr.

Chemical Property of 1-Methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate

Chemical Property:

• Vapor Pressure: 4.05E-06mmHg at 25°C
• Boiling Point: 384.6°C at 760 mmHg
• Flash Point: 186.4°C
• Density: 1.246g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 315.0695923
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

99%min ^*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(C)C)Cl