Thiofanox-sulfone
TL;DR: Thiofanox-sulfone (CAS 39184-59-3) is a chemical compound with molecular formula C9H18N2O4S and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate
Also Known As: Thiofanox-sulfone, Thiofanox-sulfon, Thiofanox sulfone, (1-methanesulfonyl-3,3-dimethylbutan-2-ylidene)amino N-methylcarbamate, 3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime
| Molecular Formula | C9H18N2O4S |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09872 |
| Heavy Atoms | 16 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 39184-59-3 |
|---|---|
| SMILES | CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C |
| InChIKey | PZOIECHFNQBYRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiofanox-sulfone (CAS 39184-59-3), with molecular formula C9H18N2O4S and molecular weight 250.10 g/mol. IUPAC: [(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of Thiofanox-sulfone
Property Insights of Thiofanox-sulfone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiofanox-sulfone. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiofanox-sulfone. Following Lipinski's Rule of Five, Thiofanox-sulfone 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 Thiofanox-sulfone?
The CAS number of Thiofanox-sulfone is 39184-59-3.
What is the molecular formula of Thiofanox-sulfone?
The molecular formula of Thiofanox-sulfone is C9H18N2O4S.
What is the molecular weight of Thiofanox-sulfone?
The molecular weight of Thiofanox-sulfone is 250.10 g/mol.
Where can I buy Thiofanox-sulfone?
You can request a quote for Thiofanox-sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiofanox-sulfone?
Yes, KEHONG BIO provides custom synthesis services for Thiofanox-sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.