2-Ethylthio-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Base Information

• Chemical Name: 2-Ethylthio-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
• CAS No.: 70931-73-6
• Molecular Formula: C25H29FN2O4S2
• Molecular Weight: 504.6372

Synonyms:Compound 12329;2-Ethylthio-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate;8-(Ethylthio)-3-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate;Piperazine, 1-(10,11-dihydro-8-(ethylthio)-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1);70931-73-6;C21H25FN2S2.C4H4O4;LS-111627;C21-H25-F-N2-S2.C4-H4-O4

Chemical Property of 2-Ethylthio-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Chemical Property:

• Vapor Pressure: 5.34E-09mmHg at 25°C
• Boiling Point: 469.8°Cat760mmHg
• Flash Point: 237.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 504.15527792
• Heavy Atom Count: 34
• Complexity: 576

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)F.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

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