TL;DR: Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- (CAS 132132-49-1) is a chemical compound with molecular formula C16H8N2Na2O6S4 and molecular weight 497.90607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
Also Known As: dids, DIDS sodium salt, Isothiocyanates, DIDS disodium salt, DIDS, Disodium Salt
| Molecular Formula | C16H8N2Na2O6S4 |
| Molecular Weight | 497.90607 g/mol |
| XLogP | -2.8582 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.90607 Da |
| Heavy Atoms | 30 |
| Complexity | 792.0 |
| SMILES | C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | GEPAYBXVXXBSKP-SEPHDYHBSA-L |
The XLogP value of -2.8582 indicates that Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- is 132132-49-1.
The molecular formula of Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- is C16H8N2Na2O6S4.
The molecular weight of Disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, (E)- is 497.90607 g/mol.
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