3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile
TL;DR: 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile (CAS 1002342-12-2) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: Maybridge3_004849, 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-yl)-2-(2-thienyl)-2-propenenitrile, 3-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylprop-2-enenitrile, 2-Thiopheneacetonitrile, alpha-(1,3-benzodioxol-5-ylmethylene)-, (alphaE)-
Technical Specifications
| Molecular Formula | C14H9NO2S |
| Molecular Weight | 255.0354 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.0354 Da |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=CC=CS3 |
| InChIKey | TWXWWHBHYBEYDV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile
Property Insights of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile
The XLogP value of 3.2 indicates that 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-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
What is the CAS number of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile?
The CAS number of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile is 1002342-12-2.
What is the molecular formula of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile?
The molecular formula of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile is C14H9NO2S.
What is the molecular weight of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile?
The molecular weight of 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile is 255.0354 g/mol.
Where can I buy 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile?
You can request a quote for 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.