2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide
TL;DR: 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide (CAS 66202-48-0) is a chemical compound with molecular formula C9H14N2OS and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-2-amine
Also Known As: 2-(tert.-butylaminothio)pyridine-N-oxide, 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide, 1-oxido-N-tert-butyl-pyridine-6-sulfenamide, 2-methyl-n-[(1-oxidopyridin-2-yl)sulfanyl]propan-2-amine, N-(1,1-dimethylethyl)-2-pyridinesulfenamide 1-oxide
| Molecular Formula | C9H14N2OS |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.08269 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 66202-48-0 |
|---|---|
| SMILES | CC(C)(C)NSC1=CC=CC=[N+]1[O-] |
| InChIKey | BYZCIXGMDPZMJK-UHFFFAOYSA-N |
Product Overview
2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide (CAS 66202-48-0), with molecular formula C9H14N2OS and molecular weight 198.08 g/mol. IUPAC: 2-methyl-N-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-2-amine.
Chemical Property Profile of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide
Property Insights of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide. Following Lipinski's Rule of Five, 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide has 1 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 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide?
The CAS number of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide is 66202-48-0.
What is the molecular formula of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide?
The molecular formula of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide is C9H14N2OS.
What is the molecular weight of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide?
The molecular weight of 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide is 198.08 g/mol.
Where can I buy 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide?
You can request a quote for 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinesulfenamide, N-(1,1-dimethylethyl)-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.