Fluorapacin
Basic information
- CAS
869811-23-4- Standard SMILES
Fc1ccc(CSSSCc2ccc(F)cc2)cc1- InChIKey
XCOWUOOCXCXCNS-UHFFFAOYSA-N- Molecular formula
- C14H12F2S3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.00692023
Overview
has antineoplastic activity; structure in first source
Names & identifiers
- Preferred name
- Fluorapacin
- IUPAC
- 1-fluoro-4-[[(4-fluorophenyl)methyltrisulfanyl]methyl]benzene
- English name
- FLUORAPACIN
- Molecular formula
- C14H12F2S3
- Molecular weight
- 314.44
Names & synonyms
Fluorapacin869811-23-4bis(4-fluorobenzyl)trisulfideT47NS4W7UKRefChem:140873Bis[(4-fluorophenyl)methyl] trisulfidebis[(4-fluorophenyl)methyl]trisulfane1,3-bis(4-fluorobenzyl)trisulfaneUNII-T47NS4W7UKTrisulfide, bis((4-fluorophenyl)methyl)1-Fluoro-4-((4-fluorophenyl)methylsulfanyldisulfanylmethyl)benzene1-fluoro-4-[[(4-fluorophenyl)methyltrisulfanyl]methyl]benzene
Show more names
Fluorescein Impurity 3Fluorescein Impurity 1Trisulfide, bis[(4-fluorophenyl)methyl]
CHEMBL215685orb3134770SCHEMBL1740610DTXSID401366205AKOS030228713AS-63498HY-16208CS-0006186
Database identifiers
- CAS
869811-23-4- PubChem CID
- 11638228
- DTXSID
DTXSID401366205- ChEMBL
CHEMBL215685- UNII
- T47NS4W7UK
- Nikkaji
- J2.602.773J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 61 · 61.0-62.0 °C(Solv: hexane (110-54-3))
- Boiling point
- 430.8 · 430.8±55.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- FDA UNII
- 47 NS4W7UK · T47NS4W7UK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesFluorapacin is an anti-tumor agent[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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