2-Benzoyl-1,3-dithiane
TL;DR: 2-Benzoyl-1,3-dithiane (CAS 21504-07-4) is a chemical compound with molecular formula C11H12OS2 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithian-2-yl(phenyl)methanone
Also Known As: 2-Benzoyl-1,3-dithiane, Ketone, m-dithian-2-yl phenyl, Methanone, 1,3-dithian-2-ylphenyl-, 1,3-Dithian-2-yl(phenyl)methanone, Ketone,m-dithian-2-yl phenyl
| Molecular Formula | C11H12OS2 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.03296 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 21504-07-4 |
|---|---|
| SMILES | C1CSC(SC1)C(=O)C2=CC=CC=C2 |
| InChIKey | UUTGHMJIZSVFHG-UHFFFAOYSA-N |
Product Overview
2-Benzoyl-1,3-dithiane (CAS 21504-07-4), with molecular formula C11H12OS2 and molecular weight 224.03 g/mol. IUPAC: 1,3-dithian-2-yl(phenyl)methanone.
Chemical Property Profile of 2-Benzoyl-1,3-dithiane
Property Insights of 2-Benzoyl-1,3-dithiane
The XLogP value of 3.2 indicates that 2-Benzoyl-1,3-dithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-1,3-dithiane. Following Lipinski's Rule of Five, 2-Benzoyl-1,3-dithiane has 0 hydrogen bond donor(s) and 3 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-Benzoyl-1,3-dithiane?
The CAS number of 2-Benzoyl-1,3-dithiane is 21504-07-4.
What is the molecular formula of 2-Benzoyl-1,3-dithiane?
The molecular formula of 2-Benzoyl-1,3-dithiane is C11H12OS2.
What is the molecular weight of 2-Benzoyl-1,3-dithiane?
The molecular weight of 2-Benzoyl-1,3-dithiane is 224.03 g/mol.
Where can I buy 2-Benzoyl-1,3-dithiane?
You can request a quote for 2-Benzoyl-1,3-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-1,3-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-1,3-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.