Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester
TL;DR: Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester (CAS 67723-97-1) is a chemical compound with molecular formula C12H8N2OS3 and molecular weight 291.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] ethanethioate
Also Known As: 2-(2'-Acetylmercapto-4'-thiazolyl)benzothiazole, Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester, O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] ethanethioate, BRN 0809484, RefChem:340242
| Molecular Formula | C12H8N2OS3 |
|---|---|
| Molecular Weight | 291.98 g/mol |
| LogP | 4.1459 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.9799 |
| Heavy Atoms | 18 |
| Complexity | 683.7671 |
Chemical Identifiers
| CAS Number | 67723-97-1 |
|---|---|
| SMILES | CC(=S)OC1=NC(=CS1)C2=NC3=CC=CC=C3S2 |
Product Overview
Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester (CAS 67723-97-1), with molecular formula C12H8N2OS3 and molecular weight 291.98 g/mol. IUPAC: O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester
Property Insights of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester
The XLogP value of 4.1459 indicates that Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester has 0 hydrogen bond donor(s) and 6 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 Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
The CAS number of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is 67723-97-1.
What is the molecular formula of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
The molecular formula of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is C12H8N2OS3.
What is the molecular weight of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
The molecular weight of Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is 291.98 g/mol.
Where can I buy Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
You can request a quote for Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.