Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-
TL;DR: Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- (CAS 31316-80-0) is a chemical compound with molecular formula C7H7NO5S2 and molecular weight 248.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic acid
Also Known As: 2-(4-oxo-2-thioxo-thiazolidin-3-yl)-succinic acid, 2-(4-Oxo-2-thioxothiazolidin-3-yl)succinic acid, 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic Acid, Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-, 2-(4-Oxo-2-thioxo-3-thiazolidinyl)butanedioic acid
| Molecular Formula | C7H7NO5S2 |
|---|---|
| Molecular Weight | 248.98 g/mol |
| LogP | -0.2254 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.97656 |
| Heavy Atoms | 15 |
| Complexity | 326.27225 |
Chemical Identifiers
| CAS Number | 31316-80-0 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C(CC(=O)O)C(=O)O |
Product Overview
Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- (CAS 31316-80-0), with molecular formula C7H7NO5S2 and molecular weight 248.98 g/mol. IUPAC: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic acid.
Chemical Property Profile of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-
Property Insights of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-
The XLogP value of -0.2254 indicates that Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-. Following Lipinski's Rule of Five, Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- has 2 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 Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-?
The CAS number of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- is 31316-80-0.
What is the molecular formula of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-?
The molecular formula of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- is C7H7NO5S2.
What is the molecular weight of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-?
The molecular weight of Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- is 248.98 g/mol.
Where can I buy Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-?
You can request a quote for Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.