o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride
TL;DR: o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride (CAS 102489-61-2) is a chemical compound with molecular formula C15H25ClN2OS and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylethyl]azanium chloride
Also Known As: C 4924, 2-(2-(Diethylamino)ethyl)thio-o-acetotoluidide hydrochloride, o-ACETOTOLUIDIDE, 2-(2-(DIETHYLAMINO)ETHYL)THIO-, HYDROCHLORIDE, diethyl-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylethyl]azanium;chloride, Acetamide,2-[[2-(diethylamino)ethyl]thio]-N-(2-methylphenyl)-, hydrochloride (1:1)
| Molecular Formula | C15H25ClN2OS |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.1376 |
| Heavy Atoms | 20 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 102489-61-2 |
|---|---|
| SMILES | CC[NH+](CC)CCSCC(=O)NC1=CC=CC=C1C.[Cl-] |
| InChIKey | XDYQRFIMJNNIMJ-UHFFFAOYSA-N |
Product Overview
o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride (CAS 102489-61-2), with molecular formula C15H25ClN2OS and molecular weight 316.14 g/mol. IUPAC: diethyl-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylethyl]azanium chloride.
Chemical Property Profile of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride
Property Insights of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride
The XLogP value of -1.4 indicates that o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.8 Ų, o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride has 2 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 o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride?
The CAS number of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride is 102489-61-2.
What is the molecular formula of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride?
The molecular formula of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride is C15H25ClN2OS.
What is the molecular weight of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride?
The molecular weight of o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride is 316.14 g/mol.
Where can I buy o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride?
You can request a quote for o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Acetotoluidide, 2-(2-(diethylamino)ethyl)thio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.