2-(4-Methylbenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene fumarate hemihydrate

Base Information

• Chemical Name: 2-(4-Methylbenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene fumarate hemihydrate
• CAS No.: 31759-17-8
• Molecular Formula: C30H33NO5S
• Molecular Weight: 519.6517

Synonyms:2-(4-Methylbenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene fumarate hemihydrate;Thioxanthene-delta(sup 9,gamma)-propylamine, N,N-dimethyl-2-((p-methylbenzyl)oxy)-, fumarate,hydrate (2:2:1);31759-17-8;C26H27NOS.C4H4O4.1/2H2O;LS-153650;C26-H27-N-O-S.C4-H4-O4.1/2H2-O

Chemical Property of 2-(4-Methylbenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene fumarate hemihydrate

Chemical Property:

• Vapor Pressure: 4.77E-11mmHg at 25°C
• Boiling Point: 523.3°C at 760 mmHg
• Flash Point: 270.3°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 519.20794433
• Heavy Atom Count: 37
• Complexity: 608

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN(C)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1=CC=C(C=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN(C)C.C(=C/C(=O)O)\C(=O)O

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