Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester
TL;DR: Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester (CAS 61998-04-7) is a chemical compound with molecular formula C13H17NOS2 and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl N,N-diethylcarbamodithioate
Also Known As: phenacyl N,N-diethylcarbamodithioate, Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester, BAS 02098293, 2-oxo-2-phenylethyl diethylcarbamodithioate, J1.022.597C
| Molecular Formula | C13H17NOS2 |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 3.2292 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.07516 |
| Heavy Atoms | 17 |
| Complexity | 374.26566 |
Chemical Identifiers
| CAS Number | 61998-04-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)C1=CC=CC=C1 |
Product Overview
Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester (CAS 61998-04-7), with molecular formula C13H17NOS2 and molecular weight 267.08 g/mol. IUPAC: phenacyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester
Property Insights of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester
The XLogP value of 3.2292 indicates that Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester has 0 hydrogen bond donor(s) and 3 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 Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester?
The CAS number of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester is 61998-04-7.
What is the molecular formula of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester?
The molecular formula of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester is C13H17NOS2.
What is the molecular weight of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester?
The molecular weight of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester is 267.08 g/mol.
Where can I buy Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester?
You can request a quote for Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.