1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Base Information

• Chemical Name: 1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)
• CAS No.: 66949-64-2
• Molecular Formula: C30H33ClN2O9S
• Molecular Weight: 633.109
• Mol file: 66949-64-2.mol

Synonyms:VUFB-9477;2-Chloro-9-(4-methylpiperazinomethyl)-7-propionylthioxanthene bis(hydrogen maleate) 1/2H2O;1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1);66949-64-2;C22H25ClN2OS.2C4H4O4.1/2H2O;LS-122807;C22-H25-Cl-N2-O-S.2C4-H4-O4.1/2H2-O

Chemical Property of 1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Chemical Property:

• Vapor Pressure: 2.08E-11mmHg at 25°C
• Boiling Point: 532.3°C at 760 mmHg
• Flash Point: 275.7°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 632.1595295
• Heavy Atom Count: 43
• Complexity: 643

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC2=C(C=C1)SC3=C(C2CN4CCN(CC4)C)C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCC(=O)C1=CC2=C(SC3=C(C2CN4CCN(CC4)C)C=C(C=C3)Cl)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O