2(1H)-Naphthalenone, 1-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-

Base Information

• Chemical Name: 2(1H)-Naphthalenone, 1-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-
• CAS No.: 95697-53-3
• Molecular Formula: C21H17 N O S
• Molecular Weight: 331.43
• DSSTox Substance ID: DTXSID00390711
• Mol file: 95697-53-3.mol

Synonyms:2(1H)-NAPHTHALENONE, 1-[2-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-;1-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]naphthalen-2-one;95697-53-3;DTXSID00390711;1-[2-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]naphthalen-2(1H)-one

Chemical Property of 2(1H)-Naphthalenone, 1-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-

Chemical Property:

• Melting Point: 181-186 °C(lit.)
• PSA: 50.24000
• LogP: 4.46380
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 331.10308534
• Heavy Atom Count: 24
• Complexity: 591

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=C3C(=O)C=CC4=CC=CC=C43

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