Thiofanox, (E)-
TL;DR: Thiofanox, (E)- (CAS 75013-98-8) is a chemical compound with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate
Also Known As: Thiofanocarb, THIOFANOX, Benelux, Dacamox, Thiophanox
| Molecular Formula | C9H18N2O2S |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.1075 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.1089 |
| Heavy Atoms | 14 |
| Complexity | 221.34207 |
Chemical Identifiers
| CAS Number | 75013-98-8 |
|---|---|
| SMILES | CC(C)(C)/C(=N\OC(=O)NC)/CSC |
Product Overview
Thiofanox, (E)- (CAS 75013-98-8), with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol. IUPAC: [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of Thiofanox, (E)-
Property Insights of Thiofanox, (E)-
The XLogP value of 2.1075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiofanox, (E)-. With a topological polar surface area (TPSA) of 50.69 Ų, Thiofanox, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiofanox, (E)- has 1 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 Thiofanox, (E)-?
The CAS number of Thiofanox, (E)- is 75013-98-8.
What is the molecular formula of Thiofanox, (E)-?
The molecular formula of Thiofanox, (E)- is C9H18N2O2S.
What is the molecular weight of Thiofanox, (E)-?
The molecular weight of Thiofanox, (E)- is 218.11 g/mol.
Where can I buy Thiofanox, (E)-?
You can request a quote for Thiofanox, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiofanox, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Thiofanox, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.