(2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile (CAS 131468-74-1) is a chemical compound with molecular formula C16H9N3O2S and molecular weight 307.04153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: BAS 12317232, (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile, F0332-0058, (E)-2-Benzothiazol-2-yl-3-(3-nitro-phenyl)-acrylonitrile
Technical Specifications
| Molecular Formula | C16H9N3O2S |
| Molecular Weight | 307.04153 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.04153 Da |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
| InChIKey | TULRHJPZXFYARJ-XYOKQWHBSA-N |
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.0 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile has 0 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 (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is 131468-74-1.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is C16H9N3O2S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is 307.04153 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.