![2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide structure](/static/products/5418/5418-73-5.webp)
2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide
TL;DR: 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide (CAS 5418-73-5) is a chemical compound with molecular formula C16H13IN2O2S and molecular weight 423.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide
Also Known As: 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide, 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium;iodide, 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]benzothiazole Iodide, 3-methyl-2-[2-(3-nitrophenyl)vinyl]-1,3-benzothiazol-3-ium iodide, 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C16H13IN2O2S |
|---|---|
| Molecular Weight | 423.97 g/mol |
| LogP | 0.8084 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.97424 |
| Heavy Atoms | 22 |
| Complexity | 858.228 |
Chemical Identifiers
| CAS Number | 5418-73-5 |
|---|---|
| SMILES | C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=CC=C3)[N+](=O)[O-].[I-] |
Product Overview
2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide (CAS 5418-73-5), with molecular formula C16H13IN2O2S and molecular weight 423.97 g/mol. IUPAC: 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide
Property Insights of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide
The XLogP value of 0.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide. With a topological polar surface area (TPSA) of 47.02 Ų, 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide has 0 hydrogen bond donor(s) and 3 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-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide?
The CAS number of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide is 5418-73-5.
What is the molecular formula of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide?
The molecular formula of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide is C16H13IN2O2S.
What is the molecular weight of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide?
The molecular weight of 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide is 423.97 g/mol.
Where can I buy 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide?
You can request a quote for 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1E)-2-(3-nitrophenyl)vinyl]-3-methylbenzothiazole, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.