1-Benzyltetrahydrothiophenium hexafluorophosphate
TL;DR: 1-Benzyltetrahydrothiophenium hexafluorophosphate (CAS 87301-53-9) is a chemical compound with molecular formula C11H15F6PS and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylthiolan-1-ium hexafluorophosphate
Also Known As: 1-benzyltetrahydrothiophenium hexafluorophosphate, TETRAHYDRO-1-(PHENYLMETHYL)-THIOPHENIUM HEXAFLUOROPHOSPHATE, 1-benzylthiolan-1-ium;hexafluorophosphate, 1-benzylthiolan-1-ium hexafluorophosphate, 1-benzylthiolan-1-ium,hexafluorophosphate
| Molecular Formula | C11H15F6PS |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 5.9811 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.05362 |
| Heavy Atoms | 19 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 87301-53-9 |
|---|---|
| SMILES | C1CC[S+](C1)CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F |
| InChIKey | NLOSHQPXCGGWIM-UHFFFAOYSA-N |
Product Overview
1-Benzyltetrahydrothiophenium hexafluorophosphate (CAS 87301-53-9), with molecular formula C11H15F6PS and molecular weight 324.05 g/mol. IUPAC: 1-benzylthiolan-1-ium hexafluorophosphate.
Chemical Property Profile of 1-Benzyltetrahydrothiophenium hexafluorophosphate
Property Insights of 1-Benzyltetrahydrothiophenium hexafluorophosphate
The XLogP value of 5.9811 indicates that 1-Benzyltetrahydrothiophenium hexafluorophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Benzyltetrahydrothiophenium hexafluorophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyltetrahydrothiophenium hexafluorophosphate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyltetrahydrothiophenium hexafluorophosphate?
The CAS number of 1-Benzyltetrahydrothiophenium hexafluorophosphate is 87301-53-9.
What is the molecular formula of 1-Benzyltetrahydrothiophenium hexafluorophosphate?
The molecular formula of 1-Benzyltetrahydrothiophenium hexafluorophosphate is C11H15F6PS.
What is the molecular weight of 1-Benzyltetrahydrothiophenium hexafluorophosphate?
The molecular weight of 1-Benzyltetrahydrothiophenium hexafluorophosphate is 324.05 g/mol.
Where can I buy 1-Benzyltetrahydrothiophenium hexafluorophosphate?
You can request a quote for 1-Benzyltetrahydrothiophenium hexafluorophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyltetrahydrothiophenium hexafluorophosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyltetrahydrothiophenium hexafluorophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.