S-Pentyl O,O-diphenyl phosphorothioate
TL;DR: S-Pentyl O,O-diphenyl phosphorothioate (CAS 88873-93-2) is a chemical compound with molecular formula C17H21O3PS and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yloxy-diphenoxy-sulfanylidene-λ5-phosphane
Also Known As: S-Pentyl O,O-diphenyl phosphorothioate, pentan-2-yloxy-diphenoxy-sulfanylidene-, O-pentan-2-yl O,O-diphenyl phosphorothioate, Phosphorothioic acid, S-pentyl O,O-diphenyl ester, Pentan-2-yloxy-diphenoxy-sulfanylidene-phosphorane
| Molecular Formula | C17H21O3PS |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.0949 |
| Heavy Atoms | 22 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 88873-93-2 |
|---|---|
| SMILES | CCCC(C)OP(=S)(OC1=CC=CC=C1)OC2=CC=CC=C2 |
| InChIKey | ZYMBQDMSWBMKDL-UHFFFAOYSA-N |
Product Overview
S-Pentyl O,O-diphenyl phosphorothioate (CAS 88873-93-2), with molecular formula C17H21O3PS and molecular weight 336.09 g/mol. IUPAC: pentan-2-yloxy-diphenoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-Pentyl O,O-diphenyl phosphorothioate
Property Insights of S-Pentyl O,O-diphenyl phosphorothioate
The XLogP value of 6.6 indicates that S-Pentyl O,O-diphenyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, S-Pentyl O,O-diphenyl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Pentyl O,O-diphenyl phosphorothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Pentyl O,O-diphenyl phosphorothioate?
The CAS number of S-Pentyl O,O-diphenyl phosphorothioate is 88873-93-2.
What is the molecular formula of S-Pentyl O,O-diphenyl phosphorothioate?
The molecular formula of S-Pentyl O,O-diphenyl phosphorothioate is C17H21O3PS.
What is the molecular weight of S-Pentyl O,O-diphenyl phosphorothioate?
The molecular weight of S-Pentyl O,O-diphenyl phosphorothioate is 336.09 g/mol.
Where can I buy S-Pentyl O,O-diphenyl phosphorothioate?
You can request a quote for S-Pentyl O,O-diphenyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Pentyl O,O-diphenyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Pentyl O,O-diphenyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.