1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-
TL;DR: 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- (CAS 40255-65-0) is a chemical compound with molecular formula C28H42O4S and molecular weight 474.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-2-(3,5-ditert-butyl-2,6-dihydroxyphenyl)sulfanylbenzene-1,3-diol
Also Known As: 2,2'-Thiobis-(4,6-di-tert-butylresorcinol), 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-, 2,2-Thiobis-(4,6-di-tert-butylresorcinol), 2,2'-Thiobis(4,6-bis(1,1-dimethylethyl)-1,3-benzenediol), 2,2'-sulfanediylbis(4,6-di-tert-butylbenzene-1,3-diol)
| Molecular Formula | C28H42O4S |
|---|---|
| Molecular Weight | 474.28 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.2804 |
| Heavy Atoms | 33 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 40255-65-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1O)SC2=C(C(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)O)C(C)(C)C |
| InChIKey | JHCCIUPVUCVKIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- (CAS 40255-65-0), with molecular formula C28H42O4S and molecular weight 474.28 g/mol. IUPAC: 4,6-ditert-butyl-2-(3,5-ditert-butyl-2,6-dihydroxyphenyl)sulfanylbenzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-
Property Insights of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-
The XLogP value of 9.3 indicates that 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-. Following Lipinski's Rule of Five, 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-?
The CAS number of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- is 40255-65-0.
What is the molecular formula of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-?
The molecular formula of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- is C28H42O4S.
What is the molecular weight of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-?
The molecular weight of 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- is 474.28 g/mol.
Where can I buy 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-?
You can request a quote for 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 2,2'-thiobis(4,6-bis(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.