2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate
TL;DR: 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate (CAS 87588-66-7) is a chemical compound with molecular formula C14H22N2OS and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate
Also Known As: S-(2- 4-methylbenzothiohydroximate, 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate, Benzenecarboximidothioicacid, N-hydroxy-4-methyl-, 2-(diethylamino)ethyl ester
| Molecular Formula | C14H22N2OS |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.1453 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 87588-66-7 |
|---|---|
| SMILES | CCN(CC)CCSC(=NO)C1=CC=C(C=C1)C |
| InChIKey | QYQLXBZQXGUITO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate (CAS 87588-66-7), with molecular formula C14H22N2OS and molecular weight 266.15 g/mol. IUPAC: 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate.
Chemical Property Profile of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate
Property Insights of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate
The XLogP value of 3.7 indicates that 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate. Following Lipinski's Rule of Five, 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate has 1 hydrogen bond donor(s) and 4 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-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate?
The CAS number of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate is 87588-66-7.
What is the molecular formula of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate?
The molecular formula of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate is C14H22N2OS.
What is the molecular weight of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate?
The molecular weight of 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate is 266.15 g/mol.
Where can I buy 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate?
You can request a quote for 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(diethylamino)ethyl N-hydroxy-4-methylbenzenecarboximidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.