(10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol

Base Information

• Chemical Name: (10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol
• CAS No.: 89331-46-4
• Molecular Formula: C20H25ClN2O2S
• Molecular Weight: 392.9427
• ChEMBL ID: CHEMBL1982973
• DSSTox Substance ID: DTXSID30539393
• NSC Number: 382270

Synonyms:89331-46-4;CHEMBL1982973;DTXSID30539393;(10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol;NSC382270;NSC-382270

Chemical Property of (10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol

Chemical Property:

• Vapor Pressure: 2.83E-13mmHg at 25°C
• Boiling Point: 557.7°Cat760mmHg
• Flash Point: 291.1°C
• Density: 1.17g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 392.1325269
• Heavy Atom Count: 26
• Complexity: 405

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOCC(CNCCSCC1=CC=CC=C1)O)C2=CC=CC=C2Cl
• Isomeric SMILES: C/C(=N\OCC(CNCCSCC1=CC=CC=C1)O)/C2=CC=CC=C2Cl

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