2-Butanone, 3,3-dimethyl-1-(methylthio)-
TL;DR: 2-Butanone, 3,3-dimethyl-1-(methylthio)- (CAS 51386-83-5) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-methylsulfanylbutan-2-one
Also Known As: 3,3-dimethyl-1-(methylsulfanyl)butan-2-one, 3,3-Dimethyl-1-methylthio-2-butanone, 3,3-Dimethyl-1-(methylthio)butan-2-one, 2-Butanone, 3,3-dimethyl-1-(methylthio)-, 3,3-dimethyl-1-methylsulfanylbutan-2-one
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 51386-83-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC |
| InChIKey | MHHUUPYWCAKNBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 3,3-dimethyl-1-(methylthio)- (CAS 51386-83-5), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: 3,3-dimethyl-1-methylsulfanylbutan-2-one.
Chemical Property Profile of 2-Butanone, 3,3-dimethyl-1-(methylthio)-
Property Insights of 2-Butanone, 3,3-dimethyl-1-(methylthio)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3,3-dimethyl-1-(methylthio)-. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Butanone, 3,3-dimethyl-1-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3,3-dimethyl-1-(methylthio)- has 0 hydrogen bond donor(s) and 2 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, 3,3-dimethyl-1-(methylthio)-?
The CAS number of 2-Butanone, 3,3-dimethyl-1-(methylthio)- is 51386-83-5.
What is the molecular formula of 2-Butanone, 3,3-dimethyl-1-(methylthio)-?
The molecular formula of 2-Butanone, 3,3-dimethyl-1-(methylthio)- is C7H14OS.
What is the molecular weight of 2-Butanone, 3,3-dimethyl-1-(methylthio)-?
The molecular weight of 2-Butanone, 3,3-dimethyl-1-(methylthio)- is 146.08 g/mol.
Where can I buy 2-Butanone, 3,3-dimethyl-1-(methylthio)-?
You can request a quote for 2-Butanone, 3,3-dimethyl-1-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3,3-dimethyl-1-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3,3-dimethyl-1-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.