S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate
TL;DR: S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate (CAS 30769-91-6) is a chemical compound with molecular formula C13H9F15OS and molecular weight 498.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enethioate
Also Known As: S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate, 2-Propenethioic acid, 2-methyl-, S-(3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl) ester, 2-Propenethioic acid, 2-methyl-, S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] ester, 2-Propenethioic acid,2-methyl-, S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]ester, S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enethioate
| Molecular Formula | C13H9F15OS |
|---|---|
| Molecular Weight | 498.01 g/mol |
| LogP | 6.5865 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.01346 |
| Heavy Atoms | 30 |
| Complexity | 646.42755 |
Chemical Identifiers
| CAS Number | 30769-91-6 |
|---|---|
| SMILES | CC(=C)C(=O)SCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate (CAS 30769-91-6), with molecular formula C13H9F15OS and molecular weight 498.01 g/mol. IUPAC: S-[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enethioate.
Chemical Property Profile of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate
Property Insights of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate
The XLogP value of 6.5865 indicates that S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate?
The CAS number of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate is 30769-91-6.
What is the molecular formula of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate?
The molecular formula of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate is C13H9F15OS.
What is the molecular weight of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate?
The molecular weight of S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate is 498.01 g/mol.
Where can I buy S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate?
You can request a quote for S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate?
Yes, KEHONG BIO provides custom synthesis services for S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.