1H-Pyrrole-3-carboxylicacid, 1-[2-[[(2,6-dichlorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-

Base Information

• Chemical Name: 1H-Pyrrole-3-carboxylicacid, 1-[2-[[(2,6-dichlorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-
• CAS No.: 306936-26-5
• Molecular Formula: C21H19Cl2NO2S
• Molecular Weight: 420.35
• DSSTox Substance ID: DTXSID00371060
• Wikidata: Q82158287
• Mol file: 306936-26-5.mol

Synonyms:306936-26-5;1H-Pyrrole-3-carboxylicacid, 1-[2-[[(2,6-dichlorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-;1-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid;1-(2-((2,6-Dichlorobenzyl)thio)ethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid;1-{2-[(2,6-Dichlorobenzyl)thio]ethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid;1H-Pyrrole-3-carboxylic acid, 1-[2-[[(2,6-dichlorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-;Maybridge1_008291;HMS565A19;DTXSID00371060;FT-0607170;1-(2,6-Dichlorobenzyl)thioethyl-2-methyl-5-phenylpyrrole-3-carboxylic acid;1-(2-(2,6-dichlorobenzylthio)ethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

Chemical Property of 1H-Pyrrole-3-carboxylicacid, 1-[2-[[(2,6-dichlorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-

Chemical Property:

• Vapor Pressure: 8.09E-15mmHg at 25°C
• Melting Point: 179-181 °C
• Refractive Index: 1.625
• Boiling Point: 591.1 °C at 760 mmHg
• Flash Point: 311.3 °C
• PSA: 67.53000
• Density: 1.3 g/cm³
• LogP: 6.40190
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 419.0513554
• Heavy Atom Count: 27
• Complexity: 479

Purity/Quality:

99%min ^*data from raw suppliers

1-(2,6-DICHLOROBENZYL)THIOETHYL-2-METHYL 5-PHENYLPYRROLE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3)C(=O)O