Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate
TL;DR: Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate (CAS 64058-58-8) is a chemical compound with molecular formula C14H18Na2O7S4 and molecular weight 471.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate;trihydrate
Also Known As: Disodium 2,2'-dithiodimethylenedibenzenesulfinate trihydrate, Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate, Benzenesulfinic acid, 2,2'-[dithiobis(methylene)]bis-, disodium salt, disodium 2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate trihydrate, Sodium 2,2'-[disulfanediylbis(methylene)]di(benzene-1-sulfinate)--water (2/1/3)
| Molecular Formula | C14H18Na2O7S4 |
|---|---|
| Molecular Weight | 471.97 g/mol |
| LogP | -5.22 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.97308 |
| Heavy Atoms | 27 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 64058-58-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSSCC2=CC=CC=C2S(=O)[O-])S(=O)[O-].O.O.O.[Na+].[Na+] |
| InChIKey | MQXOLBLJDLXICK-UHFFFAOYSA-L |
Product Overview
Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate (CAS 64058-58-8), with molecular formula C14H18Na2O7S4 and molecular weight 471.97 g/mol. IUPAC: disodium;2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate;trihydrate.
Chemical Property Profile of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate
Property Insights of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate
The XLogP value of -5.22 indicates that Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate?
The CAS number of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate is 64058-58-8.
What is the molecular formula of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate?
The molecular formula of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate is C14H18Na2O7S4.
What is the molecular weight of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate?
The molecular weight of Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate is 471.97 g/mol.
Where can I buy Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate?
You can request a quote for Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfinic acid, 2,2'-dithiodimethylenedi-, disodium salt, trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.