1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione
TL;DR: 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione (CAS 79272-22-3) is a chemical compound with molecular formula C6HF11S and molecular weight 313.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane-3-thione
Also Known As: 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione, 2H-Perfluoro-2-methyl-pentane-3-thione, 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane-3-thione, 3-Pentanethione,1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)-, 1,1,1,2,2,5,5,5-Octafluoro-4-(trifluoromethyl)-3-pentanethione #
| Molecular Formula | C6HF11S |
|---|---|
| Molecular Weight | 313.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.96234 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 79272-22-3 |
|---|---|
| SMILES | C(C(=S)C(C(F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | YLVHPIBXZVWJSH-UHFFFAOYSA-N |
Product Overview
1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione (CAS 79272-22-3), with molecular formula C6HF11S and molecular weight 313.96 g/mol. IUPAC: 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentane-3-thione.
Chemical Property Profile of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione
Property Insights of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione
The XLogP value of 4.5 indicates that 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione?
The CAS number of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione is 79272-22-3.
What is the molecular formula of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione?
The molecular formula of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione is C6HF11S.
What is the molecular weight of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione?
The molecular weight of 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione is 313.96 g/mol.
Where can I buy 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione?
You can request a quote for 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,4,4,5,5,5-Octafluoro-2-trifluoromethylpentane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.