2-Phenyl-1,3-dithiane 1,3-dioxide
TL;DR: 2-Phenyl-1,3-dithiane 1,3-dioxide (CAS 95530-97-5) is a chemical compound with molecular formula C10H12O2S2 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-dithiane 1,3-dioxide
Also Known As: 2-phenyl-1,3-dithiane 1,3-dioxide, NIOSH/JO5278000, 2-Phenyl-m-dithiane 1,3-dioxide, m-Dithiane, 2-phenyl-, 1,3-dioxide, 1,3-Dithiane, 2-phenyl-, 1,3-dioxide
| Molecular Formula | C10H12O2S2 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.02788 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 95530-97-5 |
|---|---|
| SMILES | C1CS(=O)C(S(=O)C1)C2=CC=CC=C2 |
| InChIKey | AJALSSLXGSQSTE-UHFFFAOYSA-N |
Product Overview
2-Phenyl-1,3-dithiane 1,3-dioxide (CAS 95530-97-5), with molecular formula C10H12O2S2 and molecular weight 228.03 g/mol. IUPAC: 2-phenyl-1,3-dithiane 1,3-dioxide.
Chemical Property Profile of 2-Phenyl-1,3-dithiane 1,3-dioxide
Property Insights of 2-Phenyl-1,3-dithiane 1,3-dioxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,3-dithiane 1,3-dioxide. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-1,3-dithiane 1,3-dioxide. Following Lipinski's Rule of Five, 2-Phenyl-1,3-dithiane 1,3-dioxide has 0 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 2-Phenyl-1,3-dithiane 1,3-dioxide?
The CAS number of 2-Phenyl-1,3-dithiane 1,3-dioxide is 95530-97-5.
What is the molecular formula of 2-Phenyl-1,3-dithiane 1,3-dioxide?
The molecular formula of 2-Phenyl-1,3-dithiane 1,3-dioxide is C10H12O2S2.
What is the molecular weight of 2-Phenyl-1,3-dithiane 1,3-dioxide?
The molecular weight of 2-Phenyl-1,3-dithiane 1,3-dioxide is 228.03 g/mol.
Where can I buy 2-Phenyl-1,3-dithiane 1,3-dioxide?
You can request a quote for 2-Phenyl-1,3-dithiane 1,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,3-dithiane 1,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3-dithiane 1,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.