Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester
TL;DR: Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester (CAS 5335-96-6) is a chemical compound with molecular formula C10H22NO3PS2 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-diethoxyphosphinothioylsulfanylacetamide
Also Known As: 4-04-00-00598 (Beilstein Handbook Reference), O,O-Diethyl S-(N-n-butylcarbamoylmethyl) phosphorodithioate, Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester, N-butyl-2-diethoxyphosphinothioylsulfanylacetamide, s-[2-(butylamino)-2-oxoethyl] o,o-diethyl phosphorodithioate
| Molecular Formula | C10H22NO3PS2 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 299.07788 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5335-96-6 |
|---|---|
| SMILES | CCCCNC(=O)CSP(=S)(OCC)OCC |
| InChIKey | SJYLTZVVKQDKJP-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester (CAS 5335-96-6), with molecular formula C10H22NO3PS2 and molecular weight 299.08 g/mol. IUPAC: N-butyl-2-diethoxyphosphinothioylsulfanylacetamide.
Chemical Property Profile of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester
Property Insights of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester
The XLogP value of 3.0 indicates that Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester has 1 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 Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester?
The CAS number of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester is 5335-96-6.
What is the molecular formula of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester?
The molecular formula of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester is C10H22NO3PS2.
What is the molecular weight of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester?
The molecular weight of Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester is 299.08 g/mol.
Where can I buy Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester?
You can request a quote for Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.