S-(2-acetamidonaphthalen-1-yl) (E)-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobut-2-enethioate

Base Information

• Chemical Name: S-(2-acetamidonaphthalen-1-yl) (E)-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobut-2-enethioate
• CAS No.: 10038-76-3
• Molecular Formula: C29H21 F N2 O3 S
• Molecular Weight: 496.552
• NSC Number: 407164
• DSSTox Substance ID: DTXSID90420475
• Wikidata: Q82231764
• Mol file: 10038-76-3.mol

Synonyms:NSC407164;10038-76-3;DTXSID90420475;NSC-407164

Chemical Property of S-(2-acetamidonaphthalen-1-yl) (E)-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobut-2-enethioate

Chemical Property:

• Vapor Pressure: 1.81E-23mmHg at 25°C
• Boiling Point: 767.5°Cat760mmHg
• Flash Point: 418°C
• Density: 1.4g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 496.12569187
• Heavy Atom Count: 36
• Complexity: 866

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=C1)SC(=O)C=CC(=O)NC3=CC4=C(C=C3)C5=C(C4)C=C(C=C5)F
• Isomeric SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=C1)SC(=O)/C=C/C(=O)NC3=CC4=C(C=C3)C5=C(C4)C=C(C=C5)F