![(E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol structure](/static/products/3306/330677-83-3.webp)
(E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol
TL;DR: (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol (CAS 330677-83-3) is a chemical compound with molecular formula C15H11N3O3S2 and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitrophenol
Also Known As: (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol, F0174-0035, 2-[(1E)-{[2-(METHYLSULFANYL)-1,3-BENZOTHIAZOL-6-YL]IMINO}METHYL]-4-NITROPHENOL, 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitrophenol, 6-[[(2-methylsulfanylbenzothiazol-6-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one
| Molecular Formula | C15H11N3O3S2 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.02417 |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 330677-83-3 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])O |
| InChIKey | YWFUBBCQXNCLBB-UHFFFAOYSA-N |
Product Overview
(E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol (CAS 330677-83-3), with molecular formula C15H11N3O3S2 and molecular weight 345.02 g/mol. IUPAC: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitrophenol.
Chemical Property Profile of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol
Property Insights of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol
The XLogP value of 4.0 indicates that (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol has 1 hydrogen bond donor(s) and 7 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 (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol?
The CAS number of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol is 330677-83-3.
What is the molecular formula of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol?
The molecular formula of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol is C15H11N3O3S2.
What is the molecular weight of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol?
The molecular weight of (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol is 345.02 g/mol.
Where can I buy (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol?
You can request a quote for (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(((2-(methylthio)benzo[d]thiazol-6-yl)imino)methyl)-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.