![5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole structure](/static/products/846/84654-04-6.png)
5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
TL;DR: 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole (CAS 84654-04-6) is a chemical compound with molecular formula C7H11NOS2 and molecular weight 189.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
Also Known As: 1,4-Tetradecadiin, 5-(Bis(methylthio)methyl)-3-methylisoxazole, 5-[bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole, Isoxazole, 5-[bis(methylthio)methyl]-3-methyl-
| Molecular Formula | C7H11NOS2 |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.02821 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 84654-04-6 |
|---|---|
| SMILES | CC1=NOC(=C1)C(SC)SC |
| InChIKey | OUCWGJVDRZVKLZ-UHFFFAOYSA-N |
Product Overview
5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole (CAS 84654-04-6), with molecular formula C7H11NOS2 and molecular weight 189.03 g/mol. IUPAC: 5-[bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
Property Insights of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole. Following Lipinski's Rule of Five, 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole has 0 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-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole?
The CAS number of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole is 84654-04-6.
What is the molecular formula of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole?
The molecular formula of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole is C7H11NOS2.
What is the molecular weight of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole?
The molecular weight of 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole is 189.03 g/mol.
Where can I buy 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole?
You can request a quote for 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.