RefChem:147096
TL;DR: RefChem:147096 (CAS 68611-08-5) is a chemical compound with molecular formula C9H12O4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroperoxypropan-2-ylbenzene;sulfur dioxide
Also Known As: 2-hydroperoxypropan-2-ylbenzene; sulfur dioxide, 1-Methyl-1-phenylethyl hydroperoxide-sulfur dioxide reaction product, Hydroperoxide, 1-methyl-1-phenylethyl, reaction products with sulfur dioxide, by-products from, 271-884-5, EINECS 271-884-5
| Molecular Formula | C9H12O4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.7411 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.04562 |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 68611-08-5 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)OO.O=S=O |
| InChIKey | WGVPKCSWFIGVEX-UHFFFAOYSA-N |
Product Overview
RefChem:147096 (CAS 68611-08-5), with molecular formula C9H12O4S and molecular weight 216.05 g/mol. IUPAC: 2-hydroperoxypropan-2-ylbenzene;sulfur dioxide.
Chemical Property Profile of RefChem:147096
Property Insights of RefChem:147096
The XLogP value of 1.7411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:147096. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:147096. Following Lipinski's Rule of Five, RefChem:147096 has 1 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 RefChem:147096?
The CAS number of RefChem:147096 is 68611-08-5.
What is the molecular formula of RefChem:147096?
The molecular formula of RefChem:147096 is C9H12O4S.
What is the molecular weight of RefChem:147096?
The molecular weight of RefChem:147096 is 216.05 g/mol.
Where can I buy RefChem:147096?
You can request a quote for RefChem:147096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:147096?
Yes, KEHONG BIO provides custom synthesis services for RefChem:147096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.