1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol

Base Information

• Chemical Name: 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol
• CAS No.: 5652-98-2
• Molecular Formula: C25H18ClFN4OS2
• Molecular Weight: 509.018
• DSSTox Substance ID: DTXSID70425483

Synonyms:5652-98-2;AC1OACIV;DTXSID70425483;STK073023;STK561325;AKOS005390596;AKOS005487367;(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3-fluorophenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one;1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol

Chemical Property of 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol

Chemical Property:

• Vapor Pressure: 8.23E-15mmHg at 25°C
• Boiling Point: 609.8°C at 760 mmHg
• Flash Point: 322.6°C
• Density: 1.43g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 508.0594594
• Heavy Atom Count: 34
• Complexity: 819

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NC1=CC(=CC=C1)F)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl

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