5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
TL;DR: 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid (CAS 7570-41-4) is a chemical compound with molecular formula C14H12N2O3S3 and molecular weight 352.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00669988, 2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid, 3-Carboxymethyl-5-(3-ethyl-2-benzothiazolylidene)rhodanine, 5-(3-Ethyl-2-benzothiazolylidene)-3-(carboxymethyl)rhodanine
| Molecular Formula | C14H12N2O3S3 |
|---|---|
| Molecular Weight | 352.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.001 |
| Heavy Atoms | 22 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 7570-41-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O |
| InChIKey | JIGTUJHXEHURKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid (CAS 7570-41-4), with molecular formula C14H12N2O3S3 and molecular weight 352.00 g/mol. IUPAC: 2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
Property Insights of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
The XLogP value of 3.1 indicates that 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid has 1 hydrogen bond donor(s) and 7 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 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid?
The CAS number of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid is 7570-41-4.
What is the molecular formula of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid?
The molecular formula of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid is C14H12N2O3S3.
What is the molecular weight of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid?
The molecular weight of 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid is 352.00 g/mol.
Where can I buy 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid?
You can request a quote for 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.