(5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid
TL;DR: (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid (CAS 942986-69-8) is a chemical compound with molecular formula C10H7NO3S3 and molecular weight 284.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00751905, AB00094708-01, (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid, A1711/0072928, [4-oxo-5-(3-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C10H7NO3S3 |
|---|---|
| Molecular Weight | 284.96 g/mol |
| LogP | 2.0339 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.9588 |
| Heavy Atoms | 17 |
| Complexity | 506.8756 |
Chemical Identifiers
| CAS Number | 942986-69-8 |
|---|---|
| SMILES | C1=CSC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
(5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid (CAS 942986-69-8), with molecular formula C10H7NO3S3 and molecular weight 284.96 g/mol. IUPAC: 2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid
Property Insights of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid
The XLogP value of 2.0339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid has 1 hydrogen bond donor(s) and 5 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 (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid?
The CAS number of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid is 942986-69-8.
What is the molecular formula of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid?
The molecular formula of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid is C10H7NO3S3.
What is the molecular weight of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid?
The molecular weight of (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid is 284.96 g/mol.
Where can I buy (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid?
You can request a quote for (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5E)-4-Oxo-5-(3-thienylmethylene)-2-thioxo-3-thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.