S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate
TL;DR: S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate (CAS 105300-32-1) is a chemical compound with molecular formula C14H20N2O2S and molecular weight 280.12454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[(Z)-N-hydroxy-C-(4-methylphenyl)carbonimidoyl] 2-(diethylamino)ethanethioate
Also Known As: Dev-B-43, S-(2-(Diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate, S-[(Z)-N-hydroxy-C-(4-methylphenyl)carbonimidoyl] 2-(diethylamino)ethanethioate, Ethanethioic acid, (diethylamino)-, anhydrosulfide with N-hydroxy-4-methylbenzenecarboximidothioic acid
Technical Specifications
| Molecular Formula | C14H20N2O2S |
| Molecular Weight | 280.12454 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.12454 Da |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
| SMILES | CCN(CC)CC(=O)S/C(=N\O)/C1=CC=C(C=C1)C |
| InChIKey | UBJCWMWSJIHGGU-PFONDFGASA-N |
Chemical Property Profile of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate
Property Insights of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate
The XLogP value of 3.5 indicates that S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate. Following Lipinski's Rule of Five, S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate 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
What is the CAS number of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate?
The CAS number of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate is 105300-32-1.
What is the molecular formula of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate?
The molecular formula of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate is C14H20N2O2S.
What is the molecular weight of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate?
The molecular weight of S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate is 280.12454 g/mol.
Where can I buy S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate?
You can request a quote for S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate?
Yes, CoreyChem provides custom synthesis services for S-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.