2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one
TL;DR: 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one (CAS 1388003-10-8) is a chemical compound with molecular formula C15H10N2O3S and molecular weight 298.0412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-nitrophenyl)iminomethyl]-1-benzothiophen-3-ol
Also Known As: 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one, AB00710358-01, AE-848/36047005, (2E)-2-[(4-nitroanilino)methylidene]-1-benzothiophen-3-one, (2Z)-2-[(4-nitroanilino)methylidene]-1-benzothiophen-3-one
Technical Specifications
| Molecular Formula | C15H10N2O3S |
| Molecular Weight | 298.0412 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0412 Da |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=C(C=C3)[N+](=O)[O-])O |
| InChIKey | NURSQFREWRXRAM-UHFFFAOYSA-N |
Chemical Property Profile of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one
Property Insights of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one
The XLogP value of 4.0 indicates that 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one. Following Lipinski's Rule of Five, 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one?
The CAS number of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one is 1388003-10-8.
What is the molecular formula of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one?
The molecular formula of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one is C15H10N2O3S.
What is the molecular weight of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one?
The molecular weight of 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one is 298.0412 g/mol.
Where can I buy 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one?
You can request a quote for 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 2-({4-nitroanilino}methylene)-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.