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

Base Information

• Chemical Name: 1-Piperazinepropanol, 4-(10,11-dihydro-3-methoxy-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
• CAS No.: 58912-98-4
• Molecular Formula: C27H34N2O6S2
• Molecular Weight: 546.6987

Synonyms:VUFB-10563;1-Piperazinepropanol, 4-(10,11-dihydro-3-methoxy-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1);58912-98-4;C23H30N2O2S2.C4H4O4;LS-113326;C23-H30-N2-O2-S2.C4-H4-O4

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

Chemical Property:

• Vapor Pressure: 6.95E-14mmHg at 25°C
• Boiling Point: 571.2°Cat760mmHg
• Flash Point: 299.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 546.18582916
• Heavy Atom Count: 37
• Complexity: 622

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)CCCO)C=C1.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)CCCO)C=C1.C(=C/C(=O)O)\C(=O)O

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