Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)
TL;DR: Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) (CAS 63468-80-4) is a chemical compound with molecular formula C26H28N2O6S4 and molecular weight 592.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;5-methyl-2-[(4-methyl-2-sulfophenyl)disulfanyl]benzenesulfonic acid
Also Known As: 2,2'-disulfanediylbis(5-methylbenzenesulfonic acid)- aniline(1:2), Benzenesulfonic acid, 2,2'-dithiobis(5-methyl-, compd. with benzenamine (1:2), Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2), 2,2'-Disulfanediylbis(5-methylbenzene-1-sulfonic acid)--aniline (1/2), aniline;5-methyl-2-[(4-methyl-2-sulfophenyl)disulfanyl]benzenesulfonic acid
| Molecular Formula | C26H28N2O6S4 |
|---|---|
| Molecular Weight | 592.08 g/mol |
| LogP | 6.13 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 592.083 |
| Heavy Atoms | 38 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 63468-80-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)S(=O)(=O)O)S(=O)(=O)O.C1=CC=C(C=C1)N.C1=CC=C(C=C1)N |
| InChIKey | KDGDGLGNCNNLOL-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) (CAS 63468-80-4), with molecular formula C26H28N2O6S4 and molecular weight 592.08 g/mol. IUPAC: aniline;5-methyl-2-[(4-methyl-2-sulfophenyl)disulfanyl]benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)
Property Insights of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)
The XLogP value of 6.13 indicates that Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)?
The CAS number of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) is 63468-80-4.
What is the molecular formula of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)?
The molecular formula of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) is C26H28N2O6S4.
What is the molecular weight of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)?
The molecular weight of Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) is 592.08 g/mol.
Where can I buy Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)?
You can request a quote for Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.