(5-((Methylthio)methyl)isoxazol-3-yl)methanol
TL;DR: (5-((Methylthio)methyl)isoxazol-3-yl)methanol (CAS 84654-36-4) is a chemical compound with molecular formula C6H9NO2S and molecular weight 159.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl]methanol
Also Known As: (5-((methylthio)methyl)isoxazol-3-yl)methanol, [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl]methanol, 3-Isoxazolemethanol, 5-[(methylthio)methyl]- (9CI), {5-[(methylsulfanyl)methyl]-1,2-oxazol-3-yl}methanol
| Molecular Formula | C6H9NO2S |
|---|---|
| Molecular Weight | 159.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.0354 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 84654-36-4 |
|---|---|
| SMILES | CSCC1=CC(=NO1)CO |
| InChIKey | VLTKNOQAIGAKBG-UHFFFAOYSA-N |
Product Overview
(5-((Methylthio)methyl)isoxazol-3-yl)methanol (CAS 84654-36-4), with molecular formula C6H9NO2S and molecular weight 159.04 g/mol. IUPAC: [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl]methanol.
Chemical Property Profile of (5-((Methylthio)methyl)isoxazol-3-yl)methanol
Property Insights of (5-((Methylthio)methyl)isoxazol-3-yl)methanol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-((Methylthio)methyl)isoxazol-3-yl)methanol. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-((Methylthio)methyl)isoxazol-3-yl)methanol. Following Lipinski's Rule of Five, (5-((Methylthio)methyl)isoxazol-3-yl)methanol 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 (5-((Methylthio)methyl)isoxazol-3-yl)methanol?
The CAS number of (5-((Methylthio)methyl)isoxazol-3-yl)methanol is 84654-36-4.
What is the molecular formula of (5-((Methylthio)methyl)isoxazol-3-yl)methanol?
The molecular formula of (5-((Methylthio)methyl)isoxazol-3-yl)methanol is C6H9NO2S.
What is the molecular weight of (5-((Methylthio)methyl)isoxazol-3-yl)methanol?
The molecular weight of (5-((Methylthio)methyl)isoxazol-3-yl)methanol is 159.04 g/mol.
Where can I buy (5-((Methylthio)methyl)isoxazol-3-yl)methanol?
You can request a quote for (5-((Methylthio)methyl)isoxazol-3-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-((Methylthio)methyl)isoxazol-3-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (5-((Methylthio)methyl)isoxazol-3-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.