2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile (CAS 134407-90-2) is a chemical compound with molecular formula C14H8N2S2 and molecular weight 268.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2-thienyl)acrylonitrile, 2-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
| Molecular Formula | C14H8N2S2 |
|---|---|
| Molecular Weight | 268.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.01288 |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 134407-90-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=CS3)C#N |
| InChIKey | PEKXLUSHRAEUAI-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile (CAS 134407-90-2), with molecular formula C14H8N2S2 and molecular weight 268.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
The XLogP value of 3.9 indicates that 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile has 0 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-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is 134407-90-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is C14H8N2S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is 268.01 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.