Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester (CAS 3513-92-6) is a chemical compound with molecular formula C9H19O4PS and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(oxolan-2-ylmethoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bayer 19564, ENT 23,444, tetrahydrofurfuryl diethyl thiophosphate, diethyl tetrahydrofurfuryl phosphorothioate, Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester
| Molecular Formula | C9H19O4PS |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.07417 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 3513-92-6 |
|---|---|
| SMILES | CCOP(=S)(OCC)OCC1CCCO1 |
| InChIKey | KZAOCXFBXMOEKU-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester (CAS 3513-92-6), with molecular formula C9H19O4PS and molecular weight 254.07 g/mol. IUPAC: diethoxy-(oxolan-2-ylmethoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester has 0 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 Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester is 3513-92-6.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester is C9H19O4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester is 254.07 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.