Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester
TL;DR: Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester (CAS 26190-34-1) is a chemical compound with molecular formula C5H10NO2PS2 and molecular weight 210.98906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethoxy-isothiocyanato-sulfanylidene-λ5-phosphane
Also Known As: Diethyl phosphoroisothiocyanatothionate, diethylisothiocyanatothiophosphate, NIOSH/TG4720000, Phosphoro(thiocyanatidic) acid, thio-, diethyl ester, O,O-diethyl phosphorisothiocyanatidothioate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10NO2PS2 |
| Molecular Weight | 210.98906 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.98906 Da |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
| SMILES | CCOP(=S)(N=C=S)OCC |
| InChIKey | QIXNLESENCPOSX-UHFFFAOYSA-N |
Chemical Property Profile of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester
Property Insights of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester
The XLogP value of 3.7 indicates that Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphor(isothiocyanatido)thioic acid, O,O-diethyl 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
What is the CAS number of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester?
The CAS number of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester is 26190-34-1.
What is the molecular formula of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester?
The molecular formula of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester is C5H10NO2PS2.
What is the molecular weight of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester?
The molecular weight of Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester is 210.98906 g/mol.
Where can I buy Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester?
You can request a quote for Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphor(isothiocyanatido)thioic acid, O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.