3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-
TL;DR: 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- (CAS 79692-41-4) 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-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: EINECS 231-470-7, BAS 00669988, 3-Carboxymethyl-5-(3-ethyl-2-benzothiazolylidene)rhodanine, 5-(3-Ethyl-2-benzothiazolylidene)-3-(carboxymethyl)rhodanine, 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-
| Molecular Formula | C14H12N2O3S3 |
|---|---|
| Molecular Weight | 352.00 g/mol |
| LogP | 2.7326 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.001 |
| Heavy Atoms | 22 |
| Complexity | 717.03955 |
Chemical Identifiers
| CAS Number | 79692-41-4 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\3/C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- (CAS 79692-41-4), with molecular formula C14H12N2O3S3 and molecular weight 352.00 g/mol. IUPAC: 2-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-
Property Insights of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-
The XLogP value of 2.7326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-. Following Lipinski's Rule of Five, 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- has 1 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 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-?
The CAS number of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- is 79692-41-4.
What is the molecular formula of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-?
The molecular formula of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- is C14H12N2O3S3.
What is the molecular weight of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-?
The molecular weight of 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- is 352.00 g/mol.
Where can I buy 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-?
You can request a quote for 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.