Pyrithione tert-butylamine
TL;DR: Pyrithione tert-butylamine (CAS 33079-08-2) is a chemical compound with molecular formula C9H16N2OS and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxypyridine-2-thione;2-methylpropan-2-amine
Also Known As: Omadine TBAO, Pyrithione tert-butylamine, Caswell No. 621AA, 2-Pyridinethiol-1-oxide tert-butylamine, EPA Pesticide Chemical Code 088005
| Molecular Formula | C9H16N2OS |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.09833 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 33079-08-2 |
|---|---|
| SMILES | CC(C)(C)N.C1=CC(=S)N(C=C1)O |
| InChIKey | SMUKICUKWPRLBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrithione tert-butylamine (CAS 33079-08-2), with molecular formula C9H16N2OS and molecular weight 200.10 g/mol. IUPAC: 1-hydroxypyridine-2-thione;2-methylpropan-2-amine.
Chemical Property Profile of Pyrithione tert-butylamine
Property Insights of Pyrithione tert-butylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrithione tert-butylamine. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrithione tert-butylamine. Following Lipinski's Rule of Five, Pyrithione tert-butylamine has 2 hydrogen bond donor(s) and 3 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 Pyrithione tert-butylamine?
The CAS number of Pyrithione tert-butylamine is 33079-08-2.
What is the molecular formula of Pyrithione tert-butylamine?
The molecular formula of Pyrithione tert-butylamine is C9H16N2OS.
What is the molecular weight of Pyrithione tert-butylamine?
The molecular weight of Pyrithione tert-butylamine is 200.10 g/mol.
Where can I buy Pyrithione tert-butylamine?
You can request a quote for Pyrithione tert-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrithione tert-butylamine?
Yes, KEHONG BIO provides custom synthesis services for Pyrithione tert-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.