3,8-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin fumarate

Base Information

• Chemical Name: 3,8-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin fumarate
• CAS No.: 16675-29-9
• Molecular Formula: C23H23F2NO4S
• Molecular Weight: 447.4948

Synonyms:3,8-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin fumarate;Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, 3,8-difluoro-N,N-dimethyl-, fumarate (1:1);16675-29-9;C19H19F2NS.C4H4O4;LS-61475

Chemical Property of 3,8-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin fumarate

Chemical Property:

• Vapor Pressure: 2.53E-07mmHg at 25°C
• Boiling Point: 421.8°Cat760mmHg
• Flash Point: 208.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 447.13158571
• Heavy Atom Count: 31
• Complexity: 555

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CCC=C1C2=C(CSC3=C1C=CC(=C3)F)C=C(C=C2)F.C(=CC(=O)[O-])C(=O)O
• Isomeric SMILES: C[NH+](C)CC/C=C\1/C2=C(CSC3=C1C=CC(=C3)F)C=C(C=C2)F.C(=C/C(=O)[O-])\C(=O)O

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