4-Methylluciferin

Base Information

• Chemical Name: 4-Methylluciferin
• CAS No.: 130593-26-9
• Molecular Formula: C12H10 N2 O3 S2
• Molecular Weight: 294.35
• DSSTox Substance ID: DTXSID101127826

Synonyms:4-methyl-D-luciferin;4-methylluciferin

Chemical Property of 4-Methylluciferin

Chemical Property:

• Vapor Pressure: 2.45E-10mmHg at 25°C
• Boiling Point: 475.1°Cat760mmHg
• Flash Point: 241.2°C
• PSA: 0.00000
• Density: 1.73g/cm³
• LogP: 0.00000
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 294.01328453
• Heavy Atom Count: 19
• Complexity: 418

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1N=C(S2)C3=NC(CS3)C(=O)O)O
• Isomeric SMILES: CC1=CC(=CC2=C1N=C(S2)C3=N[C@H](CS3)C(=O)O)O

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