Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester (CAS 84197-34-2) is a chemical compound with molecular formula C11H14NO3PS2 and molecular weight 303.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(4-isothiocyanatophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: EINECS 282-435-8, O,O-Diethyl O-(4-isothiocyanatophenyl) phosphorothioate, Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester, diethoxy-(4-isothiocyanatophenoxy)-sulfanylidene-, E5-phosphane
| Molecular Formula | C11H14NO3PS2 |
|---|---|
| Molecular Weight | 303.02 g/mol |
| LogP | 4.0972 |
| Topological Polar Surface Area | 40.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.01526 |
| Heavy Atoms | 18 |
| Complexity | 461.6816 |
Chemical Identifiers
| CAS Number | 84197-34-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)N=C=S |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester (CAS 84197-34-2), with molecular formula C11H14NO3PS2 and molecular weight 303.02 g/mol. IUPAC: diethoxy-(4-isothiocyanatophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester
The XLogP value of 4.0972 indicates that Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.05 Ų, Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester has 0 hydrogen bond donor(s) and 6 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-(4-isothiocyanatophenyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester is 84197-34-2.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester is C11H14NO3PS2.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester is 303.02 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) 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-(4-isothiocyanatophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(4-isothiocyanatophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.