2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-
TL;DR: 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- (CAS 5463-99-0) is a chemical compound with molecular formula C13H8OS2 and molecular weight 244.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanyl-1-thiophen-2-ylprop-2-yn-1-one
Also Known As: 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-, 3-(Phenylthio)-1-(2-thienyl)-2-propyn-1-one, 5-18-01-00258 (Beilstein Handbook Reference), 3-(phenylsulfanyl)-1-(thiophen-2-yl)prop-2-yn-1-one, 3-phenylsulfanyl-1-thiophen-2-ylprop-2-yn-1-one
| Molecular Formula | C13H8OS2 |
|---|---|
| Molecular Weight | 244.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.00166 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 5463-99-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC#CC(=O)C2=CC=CS2 |
| InChIKey | JHYMBQSPSHEVRY-UHFFFAOYSA-N |
Product Overview
2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- (CAS 5463-99-0), with molecular formula C13H8OS2 and molecular weight 244.00 g/mol. IUPAC: 3-phenylsulfanyl-1-thiophen-2-ylprop-2-yn-1-one.
Chemical Property Profile of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-
Property Insights of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-
The XLogP value of 4.5 indicates that 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-. Following Lipinski's Rule of Five, 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- 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-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-?
The CAS number of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- is 5463-99-0.
What is the molecular formula of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-?
The molecular formula of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- is C13H8OS2.
What is the molecular weight of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-?
The molecular weight of 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- is 244.00 g/mol.
Where can I buy 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-?
You can request a quote for 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-one, 3-(phenylthio)-1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.