4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
TL;DR: 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid (CAS 81903-80-2) is a chemical compound with molecular formula C7H9NO3S2 and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Also Known As: 4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-butyric acid, 4-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, rhodanine-3-butyric acid, 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid, TimTec1_001784
| Molecular Formula | C7H9NO3S2 |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 0.7115 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.00238 |
| Heavy Atoms | 13 |
| Complexity | 238.12221 |
Chemical Identifiers
| CAS Number | 81903-80-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CCCC(=O)O |
Product Overview
4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid (CAS 81903-80-2), with molecular formula C7H9NO3S2 and molecular weight 219.00 g/mol. IUPAC: 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid.
Chemical Property Profile of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Property Insights of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
The XLogP value of 0.7115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid has 1 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 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid?
The CAS number of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid is 81903-80-2.
What is the molecular formula of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid?
The molecular formula of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid is C7H9NO3S2.
What is the molecular weight of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid?
The molecular weight of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid is 219.00 g/mol.
Where can I buy 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid?
You can request a quote for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.