Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester
TL;DR: Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester (CAS 85538-41-6) is a chemical compound with molecular formula C9H20NOPS3 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-ethylmethanethioamide
Also Known As: Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester, Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethylS-(1-methylpropyl) ester, Pyrrolidine, 1-tricyclo(4.3.1.12,5)undec-10-yl-, stereoisomer, S-(Butan-2-yl) O-ethyl N-ethyl-N-methanethioylphosphoramidodithioate, S-Butan-2-yl O-ethyl N-ethyl-N-methanethioylphosphoramidodithioate
| Molecular Formula | C9H20NOPS3 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.04446 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 85538-41-6 |
|---|---|
| SMILES | CCC(C)SP(=S)(N(CC)C=S)OCC |
| InChIKey | QFVAIUKRCOZAMU-UHFFFAOYSA-N |
Product Overview
Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester (CAS 85538-41-6), with molecular formula C9H20NOPS3 and molecular weight 285.04 g/mol. IUPAC: N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-ethylmethanethioamide.
Chemical Property Profile of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester
Property Insights of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester
The XLogP value of 4.0 indicates that Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester. Following Lipinski's Rule of Five, Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester has 0 hydrogen bond donor(s) and 4 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 Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester?
The CAS number of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester is 85538-41-6.
What is the molecular formula of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester?
The molecular formula of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester is C9H20NOPS3.
What is the molecular weight of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester?
The molecular weight of Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester is 285.04 g/mol.
Where can I buy Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester?
You can request a quote for Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidodithioic acid, ethyl(thioxomethyl)-, O-ethyl S-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.