3-(2-Benzothiazolyl)-7-octadecyloxycoumarin

Base Information

• Chemical Name: 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin
• CAS No.: 161992-82-1
• Molecular Formula: C34H45 N O3 S
• Molecular Weight: 547.79
• DSSTox Substance ID: DTXSID70407320
• Nikkaji Number: J808.600A
• Mol file: 161992-82-1.mol

Synonyms:3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN;161992-82-1;3-(1,3-benzothiazol-2-yl)-7-octadecoxychromen-2-one;SCHEMBL592242;DTXSID70407320;3-(1,3-Benzothiazol-2-yl)-7-(octadecyloxy)-2H-1-benzopyran-2-one

Chemical Property of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin

Chemical Property:

• Melting Point: 135-136 °C(lit.)
• PSA: 80.57000
• LogP: 10.71000
• Solubility.: chloroform: soluble
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 19
• Exact Mass: 547.31201547
• Heavy Atom Count: 39
• Complexity: 727

Purity/Quality:

≥96% ^*data from raw suppliers

3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

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