2-Hydroxyethyl diethylcarbamodithioate
TL;DR: 2-Hydroxyethyl diethylcarbamodithioate (CAS 59709-10-3) is a chemical compound with molecular formula C7H15NOS2 and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl N,N-diethylcarbamodithioate
Also Known As: 2-hydroxyethyl diethylcarbamodithioate, 2-hydroxyethyl N,N-diethylcarbamodithioate, 2-Hydroxyethyl diethyldithiocarbamate, 2-[(diethylcarbamothioyl)sulfanyl]ethan-1-ol, diethyl-dithiocarbamic acid-(2-hydroxy-ethyl ester)
| Molecular Formula | C7H15NOS2 |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.05951 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 59709-10-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SCCO |
| InChIKey | KEYLKRQZGDXERN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxyethyl diethylcarbamodithioate (CAS 59709-10-3), with molecular formula C7H15NOS2 and molecular weight 193.06 g/mol. IUPAC: 2-hydroxyethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-Hydroxyethyl diethylcarbamodithioate
Property Insights of 2-Hydroxyethyl diethylcarbamodithioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl diethylcarbamodithioate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyethyl diethylcarbamodithioate. Following Lipinski's Rule of Five, 2-Hydroxyethyl diethylcarbamodithioate has 1 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 2-Hydroxyethyl diethylcarbamodithioate?
The CAS number of 2-Hydroxyethyl diethylcarbamodithioate is 59709-10-3.
What is the molecular formula of 2-Hydroxyethyl diethylcarbamodithioate?
The molecular formula of 2-Hydroxyethyl diethylcarbamodithioate is C7H15NOS2.
What is the molecular weight of 2-Hydroxyethyl diethylcarbamodithioate?
The molecular weight of 2-Hydroxyethyl diethylcarbamodithioate is 193.06 g/mol.
Where can I buy 2-Hydroxyethyl diethylcarbamodithioate?
You can request a quote for 2-Hydroxyethyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.