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Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium
TL;DR: Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium (CAS 62217-34-9) is a chemical compound with molecular formula C25H20BF4PS2 and molecular weight 502.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodithiol-2-yl(triphenyl)phosphanium tetrafluoroborate
Also Known As: tetrafluoro borate, Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium, 1,3-BENZODITHIOL-2-YLTRIPHENYL PHOSPHONIUM TETRAFLUOROBORATE, 1,3-benzodithiol-2-yl(triphenyl)phosphanium tetrafluoroborate, 1,3-benzodithiol-2-yl(triphenyl)phosphanium,tetrafluoroborate
| Molecular Formula | C25H20BF4PS2 |
|---|---|
| Molecular Weight | 502.08 g/mol |
| LogP | 7.4621 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.07733 |
| Heavy Atoms | 33 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 62217-34-9 |
|---|---|
| SMILES | [B-](F)(F)(F)F.C1=CC=C(C=C1)[P+](C2SC3=CC=CC=C3S2)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | KHYBVAYYVWUOAN-UHFFFAOYSA-N |
Product Overview
Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium (CAS 62217-34-9), with molecular formula C25H20BF4PS2 and molecular weight 502.08 g/mol. IUPAC: 1,3-benzodithiol-2-yl(triphenyl)phosphanium tetrafluoroborate.
Chemical Property Profile of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium
Property Insights of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium
The XLogP value of 7.4621 indicates that Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium 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 Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium?
The CAS number of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium is 62217-34-9.
What is the molecular formula of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium?
The molecular formula of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium is C25H20BF4PS2.
What is the molecular weight of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium?
The molecular weight of Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium is 502.08 g/mol.
Where can I buy Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium?
You can request a quote for Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dithiol-2-yl-triphenyl-phosphonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.