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2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one
TL;DR: 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one (CAS 120437-86-7) is a chemical compound with molecular formula C16H13NOS and molecular weight 267.07178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzyliminomethyl)-1-benzothiophen-3-ol
Also Known As: IDI1_020392, 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one, 2-{[benzylamino]methylene}benzo[b]thiophen-3-one, 2-[(benzylamino)methylidene]-1-benzothiophen-3-one, BRD-K93878988-001-01-6
Technical Specifications
| Molecular Formula | C16H13NOS |
| Molecular Weight | 267.07178 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07178 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | C1=CC=C(C=C1)CN=CC2=C(C3=CC=CC=C3S2)O |
| InChIKey | XIVNKPOLXNAXIS-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one
Property Insights of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one
The XLogP value of 4.2 indicates that 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-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 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one. Following Lipinski's Rule of Five, 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one has 1 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 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one?
The CAS number of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one is 120437-86-7.
What is the molecular formula of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one?
The molecular formula of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one is C16H13NOS.
What is the molecular weight of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one?
The molecular weight of 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one is 267.07178 g/mol.
Where can I buy 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one?
You can request a quote for 2-[(benzylamino)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-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 2-[(benzylamino)methylene]-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.