S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate
TL;DR: S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate (CAS 30769-88-1) is a chemical compound with molecular formula C17H9F23OS and molecular weight 698.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] 2-methylprop-2-enethioate
Also Known As: S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate, 2-Propenethioic acid, 2-methyl-, S-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-eicosafluoro-11-(trifluoromethyl)dodecyl) ester, 2-Propenethioic acid, 2-methyl-, S-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-eicosafluoro-11-(trifluoromethyl)dodecyl] ester, S-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] 2-methylprop-2-enethioate, 1-{[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-ICOSAFLUORO-11-(TRIFLUOROMETHYL)DODECYL]SULFANYL}-2-METHYLPROP-2-EN-1-ONE
| Molecular Formula | C17H9F23OS |
|---|---|
| Molecular Weight | 698.00 g/mol |
| LogP | 9.1277 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 698.0007 |
| Heavy Atoms | 42 |
| Complexity | 1004.9847 |
Chemical Identifiers
| CAS Number | 30769-88-1 |
|---|---|
| SMILES | CC(=C)C(=O)SCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate (CAS 30769-88-1), with molecular formula C17H9F23OS and molecular weight 698.00 g/mol. IUPAC: S-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] 2-methylprop-2-enethioate.
Chemical Property Profile of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate
Property Insights of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate
The XLogP value of 9.1277 indicates that S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate 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-9-methyldecyl)ethyl) 2-methyl-2-propenethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate 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-9-methyldecyl)ethyl) 2-methyl-2-propenethioate?
The CAS number of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate is 30769-88-1.
What is the molecular formula of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate?
The molecular formula of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate is C17H9F23OS.
What is the molecular weight of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate?
The molecular weight of S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate is 698.00 g/mol.
Where can I buy S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate?
You can request a quote for S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate?
Yes, KEHONG BIO provides custom synthesis services for S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.