1-Methylthio-3,3-dimethyl-2-butanone oxime
TL;DR: 1-Methylthio-3,3-dimethyl-2-butanone oxime (CAS 39195-82-9) is a chemical compound with molecular formula C7H15NOS and molecular weight 161.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
Also Known As: 3,3-Dimethyl-1-(methylthio)butan-2-one oxime, 1-methylthio-3,3-dimethyl-2-butanone oxime, 3,3-Dimethyl-1-methylthio-2-butanone oxime, N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine, 2-BUTANONE, 3,3-DIMETHYL-1-(METHYLTHIO)-, OXIME
| Molecular Formula | C7H15NOS |
|---|---|
| Molecular Weight | 161.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08743 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 39195-82-9 |
|---|---|
| SMILES | CC(C)(C)C(=NO)CSC |
| InChIKey | WMNXDZQBHMQKLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylthio-3,3-dimethyl-2-butanone oxime (CAS 39195-82-9), with molecular formula C7H15NOS and molecular weight 161.09 g/mol. IUPAC: N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine.
Chemical Property Profile of 1-Methylthio-3,3-dimethyl-2-butanone oxime
Property Insights of 1-Methylthio-3,3-dimethyl-2-butanone oxime
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylthio-3,3-dimethyl-2-butanone oxime. With a topological polar surface area (TPSA) of 57.9 Ų, 1-Methylthio-3,3-dimethyl-2-butanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylthio-3,3-dimethyl-2-butanone oxime 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 1-Methylthio-3,3-dimethyl-2-butanone oxime?
The CAS number of 1-Methylthio-3,3-dimethyl-2-butanone oxime is 39195-82-9.
What is the molecular formula of 1-Methylthio-3,3-dimethyl-2-butanone oxime?
The molecular formula of 1-Methylthio-3,3-dimethyl-2-butanone oxime is C7H15NOS.
What is the molecular weight of 1-Methylthio-3,3-dimethyl-2-butanone oxime?
The molecular weight of 1-Methylthio-3,3-dimethyl-2-butanone oxime is 161.09 g/mol.
Where can I buy 1-Methylthio-3,3-dimethyl-2-butanone oxime?
You can request a quote for 1-Methylthio-3,3-dimethyl-2-butanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylthio-3,3-dimethyl-2-butanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylthio-3,3-dimethyl-2-butanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.