Pentaerythritol thiophosphate
TL;DR: Pentaerythritol thiophosphate (CAS 768-87-6) is a chemical compound with molecular formula C5H9O4PS and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
Also Known As: pentaerythritol thiophosphate, (1-sulfanylidene-2,6,7-trioxa-1, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-sulfide, 1,3-Propanediol, 2-(dihydroxymethyl)-, cyclic phosphorothioate (1:1), 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide
| Molecular Formula | C5H9O4PS |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.99591 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 768-87-6 |
|---|---|
| SMILES | C1C2(COP(=S)(O1)OC2)CO |
| InChIKey | IZDACOCJCGTEMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol thiophosphate (CAS 768-87-6), with molecular formula C5H9O4PS and molecular weight 196.00 g/mol. IUPAC: (1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol.
Chemical Property Profile of Pentaerythritol thiophosphate
Property Insights of Pentaerythritol thiophosphate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaerythritol thiophosphate. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol thiophosphate. Following Lipinski's Rule of Five, Pentaerythritol thiophosphate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol thiophosphate?
The CAS number of Pentaerythritol thiophosphate is 768-87-6.
What is the molecular formula of Pentaerythritol thiophosphate?
The molecular formula of Pentaerythritol thiophosphate is C5H9O4PS.
What is the molecular weight of Pentaerythritol thiophosphate?
The molecular weight of Pentaerythritol thiophosphate is 196.00 g/mol.
Where can I buy Pentaerythritol thiophosphate?
You can request a quote for Pentaerythritol thiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol thiophosphate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol thiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.