2-Butanone, 3,3-bis(methylthio)-
TL;DR: 2-Butanone, 3,3-bis(methylthio)- (CAS 85153-62-4) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)butan-2-one
Also Known As: 3,3-Bis(methylthio)butan-2-one, 2-Butanone, 3,3-bis(methylthio)-, 3,3-bis(methylsulfanyl)butan-2-one, 3,3-Bis(methylthio)-2-butanone, RefChem:467379
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 85153-62-4 |
|---|---|
| SMILES | CC(=O)C(C)(SC)SC |
| InChIKey | SCVYHLNMCZVKKU-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3,3-bis(methylthio)- (CAS 85153-62-4), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: 3,3-bis(methylsulfanyl)butan-2-one.
Chemical Property Profile of 2-Butanone, 3,3-bis(methylthio)-
Property Insights of 2-Butanone, 3,3-bis(methylthio)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3,3-bis(methylthio)-. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanone, 3,3-bis(methylthio)-. Following Lipinski's Rule of Five, 2-Butanone, 3,3-bis(methylthio)- has 0 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, 3,3-bis(methylthio)-?
The CAS number of 2-Butanone, 3,3-bis(methylthio)- is 85153-62-4.
What is the molecular formula of 2-Butanone, 3,3-bis(methylthio)-?
The molecular formula of 2-Butanone, 3,3-bis(methylthio)- is C6H12OS2.
What is the molecular weight of 2-Butanone, 3,3-bis(methylthio)-?
The molecular weight of 2-Butanone, 3,3-bis(methylthio)- is 164.03 g/mol.
Where can I buy 2-Butanone, 3,3-bis(methylthio)-?
You can request a quote for 2-Butanone, 3,3-bis(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-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3,3-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.