C16H12IN3O4S
TL;DR: C16H12IN3O4S (CAS 1031208-69-1) is a chemical compound with molecular formula C16H12IN3O4S and molecular weight 468.95932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-iodoanilino)-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: 5-((4-iodophenyl)amino)-3-(4-nitrobenzyl)thiazolidine-2,4-dione, 5-(4-iodoanilino)-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione, 5-[(4-iodophenyl)amino]-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione, 5-[(4-iodophenyl)amino]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione, C16H12IN3O4S
Technical Specifications
| Molecular Formula | C16H12IN3O4S |
| Molecular Weight | 468.95932 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.95932 Da |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
| SMILES | C1=CC(=CC=C1CN2C(=O)C(SC2=O)NC3=CC=C(C=C3)I)[N+](=O)[O-] |
| InChIKey | WYNJIVXESDIIMY-UHFFFAOYSA-N |
Chemical Property Profile of C16H12IN3O4S
Property Insights of C16H12IN3O4S
The XLogP value of 4.0 indicates that C16H12IN3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12IN3O4S. Following Lipinski's Rule of Five, C16H12IN3O4S 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
What is the CAS number of C16H12IN3O4S?
The CAS number of C16H12IN3O4S is 1031208-69-1.
What is the molecular formula of C16H12IN3O4S?
The molecular formula of C16H12IN3O4S is C16H12IN3O4S.
What is the molecular weight of C16H12IN3O4S?
The molecular weight of C16H12IN3O4S is 468.95932 g/mol.
Where can I buy C16H12IN3O4S?
You can request a quote for C16H12IN3O4S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H12IN3O4S?
Yes, CoreyChem provides custom synthesis services for C16H12IN3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.