1-Acetoxyethyl dithiobenzoate
TL;DR: 1-Acetoxyethyl dithiobenzoate (CAS 201611-78-1) is a chemical compound with molecular formula C11H12O2S2 and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenecarbonothioylsulfanyl)ethyl acetate
Also Known As: 1-acetoxyethyl dithiobenzoate, 1-((phenylcarbonothioyl)thio)ethyl acetate, 1-(benzenecarbonothioylsulfanyl)ethyl Acetate, 1-[(Benzenecarbothioyl)sulfanyl]ethyl acetate, Benzenecarbodithioic acid, 1-(acetyloxy)ethyl ester
| Molecular Formula | C11H12O2S2 |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 3.0044 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.02788 |
| Heavy Atoms | 15 |
| Complexity | 348.86536 |
Chemical Identifiers
| CAS Number | 201611-78-1 |
|---|---|
| SMILES | CC(OC(=O)C)SC(=S)C1=CC=CC=C1 |
Product Overview
1-Acetoxyethyl dithiobenzoate (CAS 201611-78-1), with molecular formula C11H12O2S2 and molecular weight 240.03 g/mol. IUPAC: 1-(benzenecarbonothioylsulfanyl)ethyl acetate.
Chemical Property Profile of 1-Acetoxyethyl dithiobenzoate
Property Insights of 1-Acetoxyethyl dithiobenzoate
The XLogP value of 3.0044 indicates that 1-Acetoxyethyl dithiobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Acetoxyethyl dithiobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoxyethyl dithiobenzoate has 0 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 1-Acetoxyethyl dithiobenzoate?
The CAS number of 1-Acetoxyethyl dithiobenzoate is 201611-78-1.
What is the molecular formula of 1-Acetoxyethyl dithiobenzoate?
The molecular formula of 1-Acetoxyethyl dithiobenzoate is C11H12O2S2.
What is the molecular weight of 1-Acetoxyethyl dithiobenzoate?
The molecular weight of 1-Acetoxyethyl dithiobenzoate is 240.03 g/mol.
Where can I buy 1-Acetoxyethyl dithiobenzoate?
You can request a quote for 1-Acetoxyethyl dithiobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxyethyl dithiobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxyethyl dithiobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.