Ditiocade
TL;DR: Ditiocade (CAS 157499-71-3) is a chemical compound with molecular formula C5H11NOS2 and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy(ethyl)carbamodithioic acid
Also Known As: Ditiocade, Ethoxyethylcarbamodithioate, Ethoxy(ethyl)carbamodithioic acid, Ethylethoxydithiocarbamic acid, Carbamodithioic acid, ethoxy(ethyl)-
| Molecular Formula | C5H11NOS2 |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 1.4745 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.02821 |
| Heavy Atoms | 9 |
| Complexity | 96.958786 |
Chemical Identifiers
| CAS Number | 157499-71-3 |
|---|---|
| SMILES | CCN(C(=S)S)OCC |
Product Overview
Ditiocade (CAS 157499-71-3), with molecular formula C5H11NOS2 and molecular weight 165.03 g/mol. IUPAC: ethoxy(ethyl)carbamodithioic acid.
Chemical Property Profile of Ditiocade
Property Insights of Ditiocade
The XLogP value of 1.4745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ditiocade. With a topological polar surface area (TPSA) of 12.47 Ų, Ditiocade exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ditiocade has 1 hydrogen bond donor(s) and 2 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 Ditiocade?
The CAS number of Ditiocade is 157499-71-3.
What is the molecular formula of Ditiocade?
The molecular formula of Ditiocade is C5H11NOS2.
What is the molecular weight of Ditiocade?
The molecular weight of Ditiocade is 165.03 g/mol.
Where can I buy Ditiocade?
You can request a quote for Ditiocade directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditiocade?
Yes, KEHONG BIO provides custom synthesis services for Ditiocade and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.