TL;DR: benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt (CAS 13390-47-1) is a chemical compound with molecular formula C28H24N4Na2O8S3 and molecular weight 686.0552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]sulfanylbenzenesulfonate
Also Known As: ACID YELLOW 38, C.I. Acid Yellow 38, 6-Bromo-2,3-dicyanonaphthalene, C.I. Acid Yellow 38, disodium salt, CI 25135
| Molecular Formula | C28H24N4Na2O8S3 |
| Molecular Weight | 686.0552 g/mol |
| XLogP | 1.28 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 686.0552 Da |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
| SMILES | CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)SC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)OCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | VSSMQLIMSVAUDK-UHFFFAOYSA-L |
The XLogP value of 1.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt. The TPSA of 224.0 Ų indicates high polarity, suggesting benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt is 13390-47-1.
The molecular formula of benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt is C28H24N4Na2O8S3.
The molecular weight of benzenesulfonic acid, 2,2'-thiobis(5-((4-ethoxyphenyl)azo)-, disodium salt is 686.0552 g/mol.
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