![5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one structure](/static/products/5205/52059-75-3.webp)
5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
TL;DR: 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one (CAS 52059-75-3) is a chemical compound with molecular formula C9H5Cl2NO2S and molecular weight 260.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
Also Known As: 5-[3-(dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one, 5-[3-(Dichloromethyl)phenyl]-2H-1,3,4-oxathiazol-2-one
| Molecular Formula | C9H5Cl2NO2S |
|---|---|
| Molecular Weight | 260.94 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.9418 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 52059-75-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(Cl)Cl)C2=NSC(=O)O2 |
| InChIKey | UIHMQVUHMIDSLX-UHFFFAOYSA-N |
Product Overview
5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one (CAS 52059-75-3), with molecular formula C9H5Cl2NO2S and molecular weight 260.94 g/mol. IUPAC: 5-[3-(dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one.
Chemical Property Profile of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
Property Insights of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
The XLogP value of 3.3 indicates that 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one. Following Lipinski's Rule of Five, 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one 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 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one?
The CAS number of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one is 52059-75-3.
What is the molecular formula of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one?
The molecular formula of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one is C9H5Cl2NO2S.
What is the molecular weight of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one?
The molecular weight of 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one is 260.94 g/mol.
Where can I buy 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one?
You can request a quote for 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(Dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.