![3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one structure](/static/products/1164/1164490-62-3.webp)
3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one
TL;DR: 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one (CAS 1164490-62-3) is a chemical compound with molecular formula C17H15NOS and molecular weight 281.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2,4-dimethylphenyl)iminomethyl]-2-benzothiophen-1-ol
Also Known As: 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one, 9K-004, 3-[(2,4-dimethylphenyl)iminomethyl]-2-benzothiophen-1-ol, (3Z)-3-[(2,4-dimethylanilino)methylidene]-2-benzothiophen-1-one, (3Z)-3-{[(2,4-dimethylphenyl)amino]methylidene}-1,3-dihydro-2-benzothiophen-1-one
Technical Specifications
| Molecular Formula | C17H15NOS |
| Molecular Weight | 281.08743 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08743 Da |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
| SMILES | CC1=CC(=C(C=C1)N=CC2=C3C=CC=CC3=C(S2)O)C |
| InChIKey | QDHMLNRGGFJWOZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one
Property Insights of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one
The XLogP value of 5.2 indicates that 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one. Following Lipinski's Rule of Five, 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one?
The CAS number of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one is 1164490-62-3.
What is the molecular formula of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one?
The molecular formula of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one is C17H15NOS.
What is the molecular weight of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one?
The molecular weight of 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one is 281.08743 g/mol.
Where can I buy 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one?
You can request a quote for 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-[(2,4-dimethylanilino)methylene]-2-benzothiophen-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.