Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide
TL;DR: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide (CAS 2047-14-5) is a chemical compound with molecular formula C6H14NO3PS2 and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphinothioylsulfanylacetamide
Also Known As: Acethion amide, 2-diethoxyphosphinothioylsulfanylacetamide, beta-Carbamidocarbomethyl-O,O-diethyldithiophosphate, O,O-Diethyl S-(N-carbamoylmethyl) phosphorodithioate, 4-03-00-00626 (Beilstein Handbook Reference)
| Molecular Formula | C6H14NO3PS2 |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 243.01527 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2047-14-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC(=O)N |
| InChIKey | YHZHCEYCTFAWOU-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide (CAS 2047-14-5), with molecular formula C6H14NO3PS2 and molecular weight 243.02 g/mol. IUPAC: 2-diethoxyphosphinothioylsulfanylacetamide.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide
Property Insights of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide 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, O,O-diethyl ester, S-ester with 2-mercaptoacetamide?
The CAS number of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide is 2047-14-5.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide?
The molecular formula of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide is C6H14NO3PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide?
The molecular weight of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide is 243.02 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide?
You can request a quote for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.