![2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione structure](/static/products/3740/374094-19-6.webp)
2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione
TL;DR: 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione (CAS 374094-19-6) is a chemical compound with molecular formula C16H13NOS2 and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methoxyphenyl)iminomethyl]-1-benzothiophene-3-thiol
Also Known As: 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione, AE-848/36439042, 2-[(2-methoxyphenyl)iminomethyl]-1-benzothiophene-3-thiol, 2-[(2-methoxyanilino)methylidene]-1-benzothiophene-3-thione, (2E)-2-[(2-methoxyanilino)methylidene]-1-benzothiophene-3-thione
| Molecular Formula | C16H13NOS2 |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 4.9492 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.04385 |
| Heavy Atoms | 20 |
| Complexity | 776.99786 |
Chemical Identifiers
| CAS Number | 374094-19-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N=CC2=C(C3=CC=CC=C3S2)S |
Product Overview
2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione (CAS 374094-19-6), with molecular formula C16H13NOS2 and molecular weight 299.04 g/mol. IUPAC: 2-[(2-methoxyphenyl)iminomethyl]-1-benzothiophene-3-thiol.
Chemical Property Profile of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione
Property Insights of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione
The XLogP value of 4.9492 indicates that 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.59 Ų, 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione has 1 hydrogen bond donor(s) and 4 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 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione?
The CAS number of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione is 374094-19-6.
What is the molecular formula of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione?
The molecular formula of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione is C16H13NOS2.
What is the molecular weight of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione?
The molecular weight of 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione is 299.04 g/mol.
Where can I buy 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione?
You can request a quote for 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-methoxyanilino)methylene]-1-benzothiophene-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.