1-Piperazinepropanol, 4-(10,11-dihydro-3-fluoro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Base Information

• Chemical Name: 1-Piperazinepropanol, 4-(10,11-dihydro-3-fluoro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
• CAS No.: 58913-17-0
• Molecular Formula: C30H35FN2O9S2
• Molecular Weight: 650.7353

Synonyms:1-Piperazinepropanol, 4-(10,11-dihydro-3-fluoro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2);58913-17-0;C22H27FN2OS2.2C4H4O4;LS-113323;1-Piperazinepropanol, 4-[3-fluoro-10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-, (Z)-2-butenedioate (1:2) (salt)

Chemical Property of 1-Piperazinepropanol, 4-(10,11-dihydro-3-fluoro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 2.33E-12mmHg at 25°C
• Boiling Point: 536.9°Cat760mmHg
• Flash Point: 278.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 650.17680121
• Heavy Atom Count: 44
• Complexity: 610

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCCO)C=CC(=C3)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CSC1=CC2=C(SC3=C(C=CC(=C3)F)CC2N4CCN(CC4)CCCO)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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