Buthiobate
TL;DR: Buthiobate (CAS 51308-54-4) is a chemical compound with molecular formula C21H28N2S2 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methylsulfanyl]-1-butylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: Buthiobate, Butiobate, DENMERT, buthioate, Pyrithionate
| Molecular Formula | C21H28N2S2 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 372.1694 |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 51308-54-4 |
|---|---|
| SMILES | CCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C |
| InChIKey | ZZVVDIVWGXTDRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buthiobate (CAS 51308-54-4), with molecular formula C21H28N2S2 and molecular weight 372.17 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methylsulfanyl]-1-butylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of Buthiobate
Property Insights of Buthiobate
The XLogP value of 7.0 indicates that Buthiobate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Buthiobate. Following Lipinski's Rule of Five, Buthiobate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buthiobate?
The CAS number of Buthiobate is 51308-54-4.
What is the molecular formula of Buthiobate?
The molecular formula of Buthiobate is C21H28N2S2.
What is the molecular weight of Buthiobate?
The molecular weight of Buthiobate is 372.17 g/mol.
Where can I buy Buthiobate?
You can request a quote for Buthiobate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buthiobate?
Yes, KEHONG BIO provides custom synthesis services for Buthiobate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.