4,4,5,5,5-Pentafluoropentane-1-thiol

Base Information

• Chemical Name: 4,4,5,5,5-Pentafluoropentane-1-thiol
• CAS No.: 148757-88-4
• Molecular Formula: C5H7F5S
• Molecular Weight: 194.169
• Hs Code.: 2942000000
• DSSTox Substance ID: DTXSID50456573
• Wikidata: Q72499791
• Mol file: 148757-88-4.mol

Synonyms:148757-88-4;4,4,5,5,5-pentafluoropentane-1-thiol;4,4,5,5,5-PENTAFLUORO-1-PENTANETHIOL;1-Pentanethiol, 4,4,5,5,5-pentafluoro-;Pentafluoro-1-pentanethiol;4,4,5,5,5-Pentafluoropentan-1-thiol;SCHEMBL2318004;DTXSID50456573;GSYGUHSTIVBIOK-UHFFFAOYSA-N;OZRFWLLFSGXBOH-UHFFFAOYSA-N;BCP06951;MFCD07368915;AKOS006285067;AC-8873;BS-52456;CS-0238312;FT-0744966;E85431;EN300-1930087

Chemical Property of 4,4,5,5,5-Pentafluoropentane-1-thiol

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 24.887mmHg at 25°C
• Refractive Index: 1.363
• Boiling Point: 113.162 °C at 760 mmHg
• PKA: 10.08±0.10(Predicted)
• Flash Point: 30.306 °C
• PSA: 38.80000
• Density: 1.274 g/cm³
• LogP: 2.89400
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 194.01886221
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99%, ^*data from raw suppliers

4,4,5,5,5-Pentafluoro-1-pentanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(F)(F)F)(F)F)CS
• Uses: 4,4,5,5,5-Pentafluoro-1-pentanethiol is used in the preparation and fluorination effect of fulvestrant 11β isomers which shows antiproliferative activity on MCF-7 cells for breast cancer treatment. Also used in the laboratory perparation of 4,4,5,5,5-pentafluoropentane-1-thiol: an important chain of anti-breast cancer agent.