3,3-Bis(methylthio)-2-butanone oxime
TL;DR: 3,3-Bis(methylthio)-2-butanone oxime (CAS 94291-65-3) is a chemical compound with molecular formula C6H13NOS2 and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine
Also Known As: 3,3-Bis(methylthio)-2-butanone oxime, 3,3-Bis(methylthio)butan-2-one oxime, 3,3-bis-(Methylthio)butan-2-one oxime, N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine, EINECS 304-890-4, 3,3-Bis(methylthio)butan-2-one oxime, 94291-65-3
| Molecular Formula | C6H13NOS2 |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.2787 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.04385 |
| Heavy Atoms | 10 |
| Complexity | 131.7095 |
Chemical Identifiers
| CAS Number | 94291-65-3 |
|---|---|
| SMILES | CC(=NO)C(C)(SC)SC |
Product Overview
3,3-Bis(methylthio)-2-butanone oxime (CAS 94291-65-3), with molecular formula C6H13NOS2 and molecular weight 179.04 g/mol. IUPAC: N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine.
Chemical Property Profile of 3,3-Bis(methylthio)-2-butanone oxime
Property Insights of 3,3-Bis(methylthio)-2-butanone oxime
The XLogP value of 2.2787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Bis(methylthio)-2-butanone oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3,3-Bis(methylthio)-2-butanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(methylthio)-2-butanone oxime 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 3,3-Bis(methylthio)-2-butanone oxime?
The CAS number of 3,3-Bis(methylthio)-2-butanone oxime is 94291-65-3.
What is the molecular formula of 3,3-Bis(methylthio)-2-butanone oxime?
The molecular formula of 3,3-Bis(methylthio)-2-butanone oxime is C6H13NOS2.
What is the molecular weight of 3,3-Bis(methylthio)-2-butanone oxime?
The molecular weight of 3,3-Bis(methylthio)-2-butanone oxime is 179.04 g/mol.
Where can I buy 3,3-Bis(methylthio)-2-butanone oxime?
You can request a quote for 3,3-Bis(methylthio)-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 3,3-Bis(methylthio)-2-butanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(methylthio)-2-butanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.