1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-
TL;DR: 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- (CAS 116967-65-8) is a chemical compound with molecular formula C22H12N2O4S2 and molecular weight 432.02383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid
Also Known As: 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-, 2,5-dibenzothiazol-2-ylterephthalic Acid, Hexanoic acid,3,5-dioxo-,2-propenyl ester, 2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid, 2,5-di(1,3-benzothiazol-2-yl)terephthalic acid
Technical Specifications
| Molecular Formula | C22H12N2O4S2 |
| Molecular Weight | 432.02383 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.02383 Da |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3C(=O)O)C4=NC5=CC=CC=C5S4)C(=O)O |
| InChIKey | GVFSIISIKBYGEO-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-
Property Insights of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-
The XLogP value of 5.2 indicates that 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-?
The CAS number of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- is 116967-65-8.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-?
The molecular formula of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- is C22H12N2O4S2.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-?
The molecular weight of 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- is 432.02383 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-?
You can request a quote for 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.