[3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate

Base Information

• Chemical Name: [3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate
• CAS No.: 6084-79-3
• Molecular Formula: C19H28 O3
• Molecular Weight: 304.42
• DSSTox Substance ID: DTXSID60367449
• Mol file: 6084-79-3.mol

Synonyms:6084-79-3;[3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate;ZINC02949066;DTXSID60367449;BIM-0044839.P001

Chemical Property of [3-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate

Chemical Property:

• Vapor Pressure: 7.42E-18mmHg at 25°C
• Boiling Point: 670.8°C at 760 mmHg
• Flash Point: 359.5°C
• PSA: 133.49000
• Density: 1.46g/cm³
• LogP: 5.20260
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 410.03949928
• Heavy Atom Count: 28
• Complexity: 772

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC(=C3)C=C4C(=O)N=C(S4)N
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC(=C3)/C=C\4/C(=O)N=C(S4)N

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