Ethanethiol, 2-phthalimido-, acetate (ester)
TL;DR: Ethanethiol, 2-phthalimido-, acetate (ester) (CAS 1084-55-5) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(1,3-dioxoisoindol-2-yl)ethyl] ethanethioate
Also Known As: N-((2-Acetylthio)ethyl)phthalimide, S-(2-Phthalimidoethyl)-thioacetat, Thioacetic acid, S-(2-phthalimidoethyl) ester, Phthalimide, N-((2-acetylthio)ethyl)-, N-[2-(Acetylthio)ethyl]phthalimide
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 1084-55-5 |
|---|---|
| SMILES | CC(=O)SCCN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | VPXAKDDAXOLZDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethiol, 2-phthalimido-, acetate (ester) (CAS 1084-55-5), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: S-[2-(1,3-dioxoisoindol-2-yl)ethyl] ethanethioate.
Chemical Property Profile of Ethanethiol, 2-phthalimido-, acetate (ester)
Property Insights of Ethanethiol, 2-phthalimido-, acetate (ester)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-phthalimido-, acetate (ester). The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-phthalimido-, acetate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-phthalimido-, acetate (ester) 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 Ethanethiol, 2-phthalimido-, acetate (ester)?
The CAS number of Ethanethiol, 2-phthalimido-, acetate (ester) is 1084-55-5.
What is the molecular formula of Ethanethiol, 2-phthalimido-, acetate (ester)?
The molecular formula of Ethanethiol, 2-phthalimido-, acetate (ester) is C12H11NO3S.
What is the molecular weight of Ethanethiol, 2-phthalimido-, acetate (ester)?
The molecular weight of Ethanethiol, 2-phthalimido-, acetate (ester) is 249.05 g/mol.
Where can I buy Ethanethiol, 2-phthalimido-, acetate (ester)?
You can request a quote for Ethanethiol, 2-phthalimido-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-phthalimido-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-phthalimido-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.