2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile (CAS 157946-24-2) is a chemical compound with molecular formula C16H9ClN2S and molecular weight 296.0175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
Also Known As: 2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H9ClN2S |
| Molecular Weight | 296.0175 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0175 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)Cl)C#N |
| InChIKey | USFXVNGXQXIMII-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
The XLogP value of 4.8 indicates that 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)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 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile 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
What is the CAS number of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile is 157946-24-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile is C16H9ClN2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile is 296.0175 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.