Diethyl phosphorothiocyanatidate
TL;DR: Diethyl phosphorothiocyanatidate (CAS 3220-87-9) is a chemical compound with molecular formula C5H10NO3PS and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphoryl thiocyanate
Also Known As: Diethyl phosphorothiocyanatidate, diethoxyphosphoryl thiocyanate
| Molecular Formula | C5H10NO3PS |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.0119 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 3220-87-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC#N |
| InChIKey | FKTIEFYUGIVLRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl phosphorothiocyanatidate (CAS 3220-87-9), with molecular formula C5H10NO3PS and molecular weight 195.01 g/mol. IUPAC: diethoxyphosphoryl thiocyanate.
Chemical Property Profile of Diethyl phosphorothiocyanatidate
Property Insights of Diethyl phosphorothiocyanatidate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl phosphorothiocyanatidate. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl phosphorothiocyanatidate. Following Lipinski's Rule of Five, Diethyl phosphorothiocyanatidate 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 Diethyl phosphorothiocyanatidate?
The CAS number of Diethyl phosphorothiocyanatidate is 3220-87-9.
What is the molecular formula of Diethyl phosphorothiocyanatidate?
The molecular formula of Diethyl phosphorothiocyanatidate is C5H10NO3PS.
What is the molecular weight of Diethyl phosphorothiocyanatidate?
The molecular weight of Diethyl phosphorothiocyanatidate is 195.01 g/mol.
Where can I buy Diethyl phosphorothiocyanatidate?
You can request a quote for Diethyl phosphorothiocyanatidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl phosphorothiocyanatidate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl phosphorothiocyanatidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.