Pimetacin

Base Information

• Chemical Name: Pimetacin
• CAS No.: 79992-71-5
• Molecular Formula: C25H21 Cl N2 O3 S
• Molecular Weight: 0
• UNII: Z6RX3C7B5V
• DSSTox Substance ID: DTXSID10229987
• Nikkaji Number: J32.519H
• Wikidata: Q27295081
• NCI Thesaurus Code: C66385
• ChEMBL ID: CHEMBL2106942
• Mol file: 79992-71-5.mol

Synonyms:Pimetacin;79992-71-5;Pimetacin [INN];UNII-Z6RX3C7B5V;Z6RX3C7B5V;S-(pyridin-3-ylmethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate;C25H21ClN2O3S;SCHEMBL287157;CHEMBL2106942;DTXSID10229987;C25-H21-Cl-N2-O3-S;Q27295081;1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid 3-pyridylmethyl thioester;1-(P-CHLOROBENZOYL)-5-METHOXY-2-METHYL-3-INDOLEACETIC ACID 3-PYRIDYLMETHYLTHIOESTER

Chemical Property of Pimetacin

Chemical Property:

• Vapor Pressure: 2.36E-14mmHg at 25°C
• Boiling Point: 600°C at 760 mmHg
• Flash Point: 316.6°C
• PSA: 86.49000
• Density: 1.29g/cm³
• LogP: 5.69770
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 464.0961414
• Heavy Atom Count: 32
• Complexity: 657

Purity/Quality:

PIMETACIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SCC4=CN=CC=C4