(2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile (CAS 157946-21-9) is a chemical compound with molecular formula C16H10N2S and molecular weight 262.05646 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-phenylprop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-phenylacrylonitrile, J3.440.072E, VU0488303-1, (E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H10N2S |
| Molecular Weight | 262.05646 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05646 Da |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
| SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
| InChIKey | UUPWGOWJOMCZDQ-JLHYYAGUSA-N |
Chemical Property Profile of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile
The XLogP value of 4.4 indicates that (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-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-phenylprop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-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 (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile is 157946-21-9.
What is the molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile is C16H10N2S.
What is the molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile is 262.05646 g/mol.
Where can I buy (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-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-phenylprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.