Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester
TL;DR: Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester (CAS 84197-37-5) is a chemical compound with molecular formula C12H16NO3PS2 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-diethoxyphosphinothioyloxy-3-methylphenyl) thiocyanate
Also Known As: EINECS 282-435-8, 4-((Diethoxyphosphinothioyl)oxy)-3-methylphenylthiocyanate, Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester, (4-diethoxyphosphinothioyloxy-3-methylphenyl) thiocyanate, O,O-Diethyl O-[2-methyl-4-(thiocyanato)phenyl] phosphorothioate
| Molecular Formula | C12H16NO3PS2 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 4.2445 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.0309 |
| Heavy Atoms | 19 |
| Complexity | 506.18622 |
Chemical Identifiers
| CAS Number | 84197-37-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C=C(C=C1)SC#N)C |
Product Overview
Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester (CAS 84197-37-5), with molecular formula C12H16NO3PS2 and molecular weight 317.03 g/mol. IUPAC: (4-diethoxyphosphinothioyloxy-3-methylphenyl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester
Property Insights of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester
The XLogP value of 4.2445 indicates that Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.48 Ų, Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl 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 Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester?
The CAS number of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester is 84197-37-5.
What is the molecular formula of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester?
The molecular formula of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester is C12H16NO3PS2.
What is the molecular weight of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester?
The molecular weight of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester is 317.03 g/mol.
Where can I buy Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester?
You can request a quote for Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.