(2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one
TL;DR: (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one (CAS 1164463-31-3) is a chemical compound with molecular formula C11H11NOS and molecular weight 205.05614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one
Also Known As: (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one, (2E)-2-(dimethylaminomethylene)benzothiophen-3-one, 2-[(dimethylamino)methylene]benzo[b]thiophen-3-one, 2-[(Dimethylamino)methylene]-1-benzothiophen-3(2H)-one, (E)-2-((dimethylamino)methylene)benzo[b]thiophen-3(2H)-one
Technical Specifications
| Molecular Formula | C11H11NOS |
| Molecular Weight | 205.05614 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.05614 Da |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
| SMILES | CN(C)/C=C/1\C(=O)C2=CC=CC=C2S1 |
| InChIKey | KBSMWUKOZQJXOO-JXMROGBWSA-N |
Chemical Property Profile of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one
Property Insights of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one. With a topological polar surface area (TPSA) of 45.6 Ų, (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-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 (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one?
The CAS number of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one is 1164463-31-3.
What is the molecular formula of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one?
The molecular formula of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one is C11H11NOS.
What is the molecular weight of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one?
The molecular weight of (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one is 205.05614 g/mol.
Where can I buy (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one?
You can request a quote for (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one?
Yes, CoreyChem provides custom synthesis services for (2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.