1H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolylthio)ethyl]-

Base Information

• Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolylthio)ethyl]-
• CAS No.: 121161-67-9
• Molecular Formula: C17H12N2O3S
• Molecular Weight: 324.35400
• DSSTox Substance ID: DTXSID00358513
• Wikidata: Q82139136
• Mol file: 121161-67-9.mol

Synonyms:121161-67-9;1H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolylthio)ethyl]-;2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione;Oprea1_714418;Oprea1_741054;DTXSID00358513;AKOS002160767;AI-204/31725041;2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1H-isoindole-1,3(2H)-dione

Chemical Property of 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolylthio)ethyl]-

Chemical Property:

• PSA: 88.71000
• LogP: 3.15400
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 324.05686342
• Heavy Atom Count: 23
• Complexity: 463

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4O3