Pyrophos
TL;DR: Pyrophos (CAS 645-78-3) is a chemical compound with molecular formula C8H20O6P2S and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphinothioyl diethyl phosphate
Also Known As: Pyrophos, Phosarbin, Fosarbin, Pirofos, Monothiono TEPP
| Molecular Formula | C8H20O6P2S |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 306.0456 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 645-78-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)OP(=S)(OCC)OCC |
| InChIKey | QPXWUAQRJLSJRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrophos (CAS 645-78-3), with molecular formula C8H20O6P2S and molecular weight 306.05 g/mol. IUPAC: diethoxyphosphinothioyl diethyl phosphate.
Chemical Property Profile of Pyrophos
Property Insights of Pyrophos
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrophos. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrophos. Following Lipinski's Rule of Five, Pyrophos has 0 hydrogen bond donor(s) and 7 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 Pyrophos?
The CAS number of Pyrophos is 645-78-3.
What is the molecular formula of Pyrophos?
The molecular formula of Pyrophos is C8H20O6P2S.
What is the molecular weight of Pyrophos?
The molecular weight of Pyrophos is 306.05 g/mol.
Where can I buy Pyrophos?
You can request a quote for Pyrophos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrophos?
Yes, KEHONG BIO provides custom synthesis services for Pyrophos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.