Thiofanox-sulfoxide
TL;DR: Thiofanox-sulfoxide (CAS 39184-27-5) is a chemical compound with molecular formula C9H18N2O3S and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate
Also Known As: Thiofanox-sulfoxide, Thiofanox sulfoxide, [(E)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate, 2-Butanone, 3,3-dimethyl-1-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime, 2-Butanone,3,3-dimethyl-1-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime
| Molecular Formula | C9H18N2O3S |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.10382 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 39184-27-5 |
|---|---|
| SMILES | CC(C)(C)C(=NOC(=O)NC)CS(=O)C |
| InChIKey | NLMRMVVMKCKWFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiofanox-sulfoxide (CAS 39184-27-5), with molecular formula C9H18N2O3S and molecular weight 234.10 g/mol. IUPAC: [(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of Thiofanox-sulfoxide
Property Insights of Thiofanox-sulfoxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiofanox-sulfoxide. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiofanox-sulfoxide. Following Lipinski's Rule of Five, Thiofanox-sulfoxide 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-sulfoxide?
The CAS number of Thiofanox-sulfoxide is 39184-27-5.
What is the molecular formula of Thiofanox-sulfoxide?
The molecular formula of Thiofanox-sulfoxide is C9H18N2O3S.
What is the molecular weight of Thiofanox-sulfoxide?
The molecular weight of Thiofanox-sulfoxide is 234.10 g/mol.
Where can I buy Thiofanox-sulfoxide?
You can request a quote for Thiofanox-sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiofanox-sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Thiofanox-sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.