双酚S
TL;DR: 双酚S (CAS 80-09-1) 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.
双酚S
4-(4-hydroxyphenyl)sulfonylphenol
Also Known As: 4,4'-Sulfonyldiphenol, Bisphenol S, Bis(4-hydroxyphenyl) sulfone, Phenol, 4,4'-sulfonylbis-, Diphone C
| Molecular Formula | C12H10O4S |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.02998 |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
| Melting Point | 240.5 °C |
| Density | 1.3663 g/cu cm at 15 °C |
| Solubility | Insoluble in water |
Chemical Identifiers
| CAS Number | 80-09-1 |
|---|---|
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O |
| InChIKey | VPWNQTHUCYMVMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双酚S (CAS 80-09-1), with molecular formula C12H10O4S and molecular weight 250.03 g/mol. IUPAC: 4-(4-hydroxyphenyl)sulfonylphenol.
Chemical Property Profile of 双酚S
Property Insights of 双酚S
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双酚S. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双酚S. Following Lipinski's Rule of Five, 双酚S has 2 hydrogen bond donor(s) and 4 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 双酚S?
The CAS number of 双酚S is 80-09-1.
What is the molecular formula of 双酚S?
The molecular formula of 双酚S is C12H10O4S.
What is the molecular weight of 双酚S?
The molecular weight of 双酚S is 250.03 g/mol.
Where can I buy 双酚S?
You can request a quote for 双酚S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双酚S?
Yes, KEHONG BIO provides custom synthesis services for 双酚S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.