2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-
TL;DR: 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- (CAS 199865-59-3) is a chemical compound with molecular formula C15H14OS2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)-1-naphthalen-1-ylprop-2-en-1-one
Also Known As: Maybridge3_004306, 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-, IDI1_015693, 3,3-bis(methylsulfanyl)-1-naphthalen-1-ylprop-2-en-1-one, J3.060.092D
| Molecular Formula | C15H14OS2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0486 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 199865-59-3 |
|---|---|
| SMILES | CSC(=CC(=O)C1=CC=CC2=CC=CC=C21)SC |
| InChIKey | KQBGHTWFSLTQJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- (CAS 199865-59-3), with molecular formula C15H14OS2 and molecular weight 274.05 g/mol. IUPAC: 3,3-bis(methylsulfanyl)-1-naphthalen-1-ylprop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-
Property Insights of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-
The XLogP value of 4.3 indicates that 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- 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-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-?
The CAS number of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- is 199865-59-3.
What is the molecular formula of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-?
The molecular formula of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- is C15H14OS2.
What is the molecular weight of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-?
The molecular weight of 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- is 274.05 g/mol.
Where can I buy 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-?
You can request a quote for 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 3,3-bis(methylthio)-1-(1-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.