4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid
TL;DR: 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid (CAS 61481-03-6) is a chemical compound with molecular formula C16H12N2O6S4 and molecular weight 455.95782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethyl]benzenesulfonic acid
Also Known As: Dihydro-dids, Dihydrodids, N-Butanoylpyrrole, H(2)DIDS, DISCONTINUED See D460501""
Technical Specifications
| Molecular Formula | C16H12N2O6S4 |
| Molecular Weight | 455.95782 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 214.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.95782 Da |
| Heavy Atoms | 28 |
| Complexity | 779.0 |
| SMILES | C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)CCC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O |
| InChIKey | AXGKYURDYTXCAG-UHFFFAOYSA-N |
Chemical Property Profile of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid
Property Insights of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid
The XLogP value of 4.4 indicates that 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid?
The CAS number of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid is 61481-03-6.
What is the molecular formula of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid?
The molecular formula of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid is C16H12N2O6S4.
What is the molecular weight of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid?
The molecular weight of 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid is 455.95782 g/mol.
Where can I buy 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid?
You can request a quote for 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4,4'-Diisothiocyanodihydrostilbene-2,2'-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.