Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 63512-57-2
• Molecular Formula: C25H25NO3S2
• Molecular Weight: 451.6009
• DSSTox Substance ID: DTXSID9069920

Synonyms:Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1);63512-57-2;Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1);C18H18NS.C7H7O3S;DTXSID9069920;C18-H18-N-S.C7-H7-O3-S

Chemical Property of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 94.76000
• Density: g/cm³
• LogP: 6.58670
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 451.12758601
• Heavy Atom Count: 31
• Complexity: 493

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(C=CC2=C1C=CC(=C2)C)SC3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

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