Home Other Building Blocks Bis[(4-fluorophenyl)methyl] trisulfide

Bis[(4-fluorophenyl)methyl] trisulfide

CAS No.:
869811-23-4
Catalog Number:
AG0039CF
Molecular Formula:
C14H12F2S3
Molecular Weight:
314.4369
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Product Description
Catalog Number:
AG0039CF
Chemical Name:
Bis[(4-fluorophenyl)methyl] trisulfide
CAS Number:
869811-23-4
Molecular Formula:
C14H12F2S3
Molecular Weight:
314.4369
MDL Number:
MFCD22572761
IUPAC Name:
1-fluoro-4-[[(4-fluorophenyl)methyltrisulfanyl]methyl]benzene
InChI:
InChI=1S/C14H12F2S3/c15-13-5-1-11(2-6-13)9-17-19-18-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChI Key:
XCOWUOOCXCXCNS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CSSSCc1ccc(cc1)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.007g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.427g/mol
Monoisotopic Mass:
314.007g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Natural product derivative Bis(4-fluorobenzyl)trisulfide inhibits tumor growth by modification of beta-tubulin at Cys 12 and suppression of microtubule dynamics. Molecular cancer therapeutics 20091201
Implications of dibenzyl trisulphide for disease treatment based on its mode of action. The West Indian medical journal 20091101
Identification and simultaneous determination of p-FHA and p-FBA, two metabolites of anti-tumor agent--Fluorapacin in rat urine. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20090515
Stability studies of anticancer agent bis(4-fluorobenzyl)trisulfide and synthesis of related substances. Journal of pharmaceutical and biomedical analysis 20081104
Crystal structure determination of new antimitotic agent bis(p-fluorobenzyl)trisulfide. AAPS PharmSciTech 20080601
Determination of anti-tumor agent bis(p-fluorobenzyl)trisulfide and its degraded compound in rat blood using reversed phase high-performance liquid chromatography. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20080601
[Determination of bis (p-fluorobenzyl) trisulfide and bis (p-fluoro-benzyl) disulfide in lungs of rat by HPLC]. Zhejiang da xue xue bao. Yi xue ban = Journal of Zhejiang University. Medical sciences 20080301
Quantitative determination of anti-tumor agent bis(4-fluorobenzyl)trisulfide, fluorapacin and its pharmaceutical preparation by high-performance liquid chromatography. Journal of pharmaceutical and biomedical analysis 20080107
Properties