![3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one structure](/static/products/3384/338410-40-5.webp)
3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one
TL;DR: 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one (CAS 338410-40-5) is a chemical compound with molecular formula C11H11NOS and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(dimethylaminomethylidene)-2-benzothiophen-1-one
Also Known As: 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one, (3Z)-3-(dimethylaminomethylidene)-2-benzothiophen-1-one, 3J-020, (3Z)-3-[(dimethylamino)methylidene]-1,3-dihydro-2-benzothiophen-1-one, (3Z)-3-(dimethylaminomethylene)-2-benzothiophen-1-one
| Molecular Formula | C11H11NOS |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 2.4336 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.05614 |
| Heavy Atoms | 14 |
| Complexity | 409.50348 |
Chemical Identifiers
| CAS Number | 338410-40-5 |
|---|---|
| SMILES | CN(C)/C=C\1/C2=CC=CC=C2C(=O)S1 |
Product Overview
3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one (CAS 338410-40-5), with molecular formula C11H11NOS and molecular weight 205.06 g/mol. IUPAC: (3Z)-3-(dimethylaminomethylidene)-2-benzothiophen-1-one.
Chemical Property Profile of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one
Property Insights of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one
The XLogP value of 2.4336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one. With a topological polar surface area (TPSA) of 20.31 Ų, 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-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-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one?
The CAS number of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one is 338410-40-5.
What is the molecular formula of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one?
The molecular formula of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one is C11H11NOS.
What is the molecular weight of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one?
The molecular weight of 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one is 205.06 g/mol.
Where can I buy 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one?
You can request a quote for 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(dimethylamino)methylene]-2-benzothiophen-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.