(2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile (CAS 112632-92-5) is a chemical compound with molecular formula C16H8Cl2N2S and molecular weight 329.97852 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-(2,6-dichlorophenyl)prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(2,6-dichlorophenyl)acrylonitrile, VU0510198-1, (E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile, F3139-1168
Technical Specifications
| Molecular Formula | C16H8Cl2N2S |
| Molecular Weight | 329.97852 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.97852 Da |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=C(C=CC=C3Cl)Cl)/C#N |
| InChIKey | WDEAOFANDHKVQK-CSKARUKUSA-N |
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile
The XLogP value of 5.5 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile is 112632-92-5.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile is C16H8Cl2N2S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile is 329.97852 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)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-(2,6-dichlorophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.