2-Butanone, 1-(methylthio)-, oxime
TL;DR: 2-Butanone, 1-(methylthio)-, oxime (CAS 39195-97-6) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
Also Known As: 1-(Methylthio)butan-2-one oxime, EINECS 254-345-9, 2-Butanone,1-(methylthio)-, oxime, 2-Butanone, 1-(methylthio)-, oxime, N-[1-(METHYLSULFANYL)BUTAN-2-YLIDENE]HYDROXYLAMINE
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 1.5896 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 82.497856 |
Chemical Identifiers
| CAS Number | 39195-97-6 |
|---|---|
| SMILES | CCC(=NO)CSC |
Product Overview
2-Butanone, 1-(methylthio)-, oxime (CAS 39195-97-6), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine.
Chemical Property Profile of 2-Butanone, 1-(methylthio)-, oxime
Property Insights of 2-Butanone, 1-(methylthio)-, oxime
The XLogP value of 1.5896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 1-(methylthio)-, oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 2-Butanone, 1-(methylthio)-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 1-(methylthio)-, 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 2-Butanone, 1-(methylthio)-, oxime?
The CAS number of 2-Butanone, 1-(methylthio)-, oxime is 39195-97-6.
What is the molecular formula of 2-Butanone, 1-(methylthio)-, oxime?
The molecular formula of 2-Butanone, 1-(methylthio)-, oxime is C5H11NOS.
What is the molecular weight of 2-Butanone, 1-(methylthio)-, oxime?
The molecular weight of 2-Butanone, 1-(methylthio)-, oxime is 133.06 g/mol.
Where can I buy 2-Butanone, 1-(methylthio)-, oxime?
You can request a quote for 2-Butanone, 1-(methylthio)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 1-(methylthio)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 1-(methylthio)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.