3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one
TL;DR: 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one (CAS 112677-16-4) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one
Also Known As: 3-(dimethylamino)-1-(2-thienyl)-2-buten-1-one, 3-(dimethylamino)-1-(2-thienyl)but-2-en-1-one, 3-(dimethylamino)-1-thiophen-2-ylbut-2-en-1-one, 3-(Dimethylamino)-1-(thiophen-2-yl)but-2-en-1-one, (2E)-3-(dimethylamino)-1-(thiophen-2-yl)but-2-en-1-one
Technical Specifications
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.0718 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0718 Da |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
| SMILES | CC(=CC(=O)C1=CC=CS1)N(C)C |
| InChIKey | NXGSXJMLDZJGIZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one
Property Insights of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one. With a topological polar surface area (TPSA) of 48.6 Ų, 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(2-thienyl)but-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
What is the CAS number of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
The CAS number of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one is 112677-16-4.
What is the molecular formula of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
The molecular formula of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one is C10H13NOS.
What is the molecular weight of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
The molecular weight of 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one is 195.0718 g/mol.
Where can I buy 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
You can request a quote for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethylamino)-1-(2-thienyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.