Acetic acid 1,5-dithia-s-indacen-4-yl ester
TL;DR: Acetic acid 1,5-dithia-s-indacen-4-yl ester (CAS 3218-45-9) is a chemical compound with molecular formula C12H8O2S2 and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thieno[2,3-f][1]benzothiol-4-yl acetate
Also Known As: Acetic acid 1,5-dithia-s-indacen-4-yl ester, thieno[2,3-f][1]benzothiol-4-yl acetate, thieno[2,3-f]benzothiophen-4-yl acetate, Benzo[1,2-b:4,5-b']bisthiophen-4-yl acetate, Benzo[1,2-b_5,4-b']dithiophen-4-ol, acetate
| Molecular Formula | C12H8O2S2 |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.99657 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 3218-45-9 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=CC3=C1C=CS3)C=CS2 |
| InChIKey | DGANHODTSBSIED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid 1,5-dithia-s-indacen-4-yl ester (CAS 3218-45-9), with molecular formula C12H8O2S2 and molecular weight 248.00 g/mol. IUPAC: thieno[2,3-f][1]benzothiol-4-yl acetate.
Chemical Property Profile of Acetic acid 1,5-dithia-s-indacen-4-yl ester
Property Insights of Acetic acid 1,5-dithia-s-indacen-4-yl ester
The XLogP value of 3.7 indicates that Acetic acid 1,5-dithia-s-indacen-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 1,5-dithia-s-indacen-4-yl ester. Following Lipinski's Rule of Five, Acetic acid 1,5-dithia-s-indacen-4-yl 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 Acetic acid 1,5-dithia-s-indacen-4-yl ester?
The CAS number of Acetic acid 1,5-dithia-s-indacen-4-yl ester is 3218-45-9.
What is the molecular formula of Acetic acid 1,5-dithia-s-indacen-4-yl ester?
The molecular formula of Acetic acid 1,5-dithia-s-indacen-4-yl ester is C12H8O2S2.
What is the molecular weight of Acetic acid 1,5-dithia-s-indacen-4-yl ester?
The molecular weight of Acetic acid 1,5-dithia-s-indacen-4-yl ester is 248.00 g/mol.
Where can I buy Acetic acid 1,5-dithia-s-indacen-4-yl ester?
You can request a quote for Acetic acid 1,5-dithia-s-indacen-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 1,5-dithia-s-indacen-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 1,5-dithia-s-indacen-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.