Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride
TL;DR: Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride (CAS 73623-24-2) is a chemical compound with molecular formula C13H21ClN2OS and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(phenylcarbamothioyloxy)ethyl]azanium chloride
Also Known As: beta-Diethylaminoethyl-phenylthiourethan hydrochloride, O-(2-(Diethylamino)ethyl)thiocarbanilate hydrochloride, Thiocarbanilic acid 2-diethylaminoethyl ester hydrochloride, CARBANILIC ACID, THIO-, O-(2-DIETHYLAMINOETHYL) ESTER, HYDROCHLORIDE, Carbamothioic acid, phenyl-, O-(2-(diethylamino)ethyl) ester, monohydrochloride
| Molecular Formula | C13H21ClN2OS |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | -1.6713 |
| Topological Polar Surface Area | 25.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.10632 |
| Heavy Atoms | 18 |
| Complexity | 331.02295 |
Chemical Identifiers
| CAS Number | 73623-24-2 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=S)NC1=CC=CC=C1.[Cl-] |
Product Overview
Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride (CAS 73623-24-2), with molecular formula C13H21ClN2OS and molecular weight 288.11 g/mol. IUPAC: diethyl-[2-(phenylcarbamothioyloxy)ethyl]azanium chloride.
Chemical Property Profile of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride
Property Insights of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride
The XLogP value of -1.6713 indicates that Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.7 Ų, Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride has 2 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 Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride?
The CAS number of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride is 73623-24-2.
What is the molecular formula of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride?
The molecular formula of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride is C13H21ClN2OS.
What is the molecular weight of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride?
The molecular weight of Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride is 288.11 g/mol.
Where can I buy Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride?
You can request a quote for Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenylthio-carbamic acid O-(2-(diethylamino)ethyl) ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.