2-Propanone, 1,3-bis(methylthio)-
TL;DR: 2-Propanone, 1,3-bis(methylthio)- (CAS 39199-23-0) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(methylsulfanyl)propan-2-one
Also Known As: 1,3-bis(methylsulfanyl)propan-2-one, a-methylthiomethyl ketone, 2-Propanone, 1,3-bis(methylthio)-, 1,3-Bis-methylmercapto-aceton, RefChem:266006
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 39199-23-0 |
|---|---|
| SMILES | CSCC(=O)CSC |
| InChIKey | IUFDUVLNSLEDSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanone, 1,3-bis(methylthio)- (CAS 39199-23-0), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: 1,3-bis(methylsulfanyl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1,3-bis(methylthio)-
Property Insights of 2-Propanone, 1,3-bis(methylthio)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,3-bis(methylthio)-. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1,3-bis(methylthio)-. Following Lipinski's Rule of Five, 2-Propanone, 1,3-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-Propanone, 1,3-bis(methylthio)-?
The CAS number of 2-Propanone, 1,3-bis(methylthio)- is 39199-23-0.
What is the molecular formula of 2-Propanone, 1,3-bis(methylthio)-?
The molecular formula of 2-Propanone, 1,3-bis(methylthio)- is C5H10OS2.
What is the molecular weight of 2-Propanone, 1,3-bis(methylthio)-?
The molecular weight of 2-Propanone, 1,3-bis(methylthio)- is 150.02 g/mol.
Where can I buy 2-Propanone, 1,3-bis(methylthio)-?
You can request a quote for 2-Propanone, 1,3-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-Propanone, 1,3-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,3-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.