3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one
TL;DR: 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one (CAS 136819-65-3) is a chemical compound with molecular formula C11H12OS2 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one
Also Known As: 3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one, isoindoline hydrochloride, 3,3-Bis-methylsulfanyl-1-phenyl-propenone, Benzoylketene dimethyldithioacetal, 2-Propen-1-one, 3,3-bis(methylthio)-1-phenyl-
| Molecular Formula | C11H12OS2 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.03296 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 136819-65-3 |
|---|---|
| SMILES | CSC(=CC(=O)C1=CC=CC=C1)SC |
| InChIKey | BKRQPGGEQSTJFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one (CAS 136819-65-3), with molecular formula C11H12OS2 and molecular weight 224.03 g/mol. IUPAC: 3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one
Property Insights of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one
The XLogP value of 3.1 indicates that 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one 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 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one. Following Lipinski's Rule of Five, 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one 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 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one?
The CAS number of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one is 136819-65-3.
What is the molecular formula of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one?
The molecular formula of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one is C11H12OS2.
What is the molecular weight of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one?
The molecular weight of 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one is 224.03 g/mol.
Where can I buy 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one?
You can request a quote for 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one 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(methylsulfanyl)-1-phenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(methylsulfanyl)-1-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.