4,4'-Thiodiresorcinol
TL;DR: 4,4'-Thiodiresorcinol (CAS 97-29-0) is a chemical compound with molecular formula C12H10O4S and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol
Also Known As: 4,4'-Thiodiresorcinol, Resorcinol sulfide, 4,4'-Thiobis(resorcinol), 4,4'-Diresorcyl sulfide, Thiobisresorcinol
| Molecular Formula | C12H10O4S |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.02998 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 97-29-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)SC2=C(C=C(C=C2)O)O |
| InChIKey | WEMYXYMZQRSPIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Thiodiresorcinol (CAS 97-29-0), with molecular formula C12H10O4S and molecular weight 250.03 g/mol. IUPAC: 4-(2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol.
Chemical Property Profile of 4,4'-Thiodiresorcinol
Property Insights of 4,4'-Thiodiresorcinol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Thiodiresorcinol. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Thiodiresorcinol. Following Lipinski's Rule of Five, 4,4'-Thiodiresorcinol has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Thiodiresorcinol?
The CAS number of 4,4'-Thiodiresorcinol is 97-29-0.
What is the molecular formula of 4,4'-Thiodiresorcinol?
The molecular formula of 4,4'-Thiodiresorcinol is C12H10O4S.
What is the molecular weight of 4,4'-Thiodiresorcinol?
The molecular weight of 4,4'-Thiodiresorcinol is 250.03 g/mol.
Where can I buy 4,4'-Thiodiresorcinol?
You can request a quote for 4,4'-Thiodiresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiodiresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiodiresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.