(2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile
TL;DR: (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile (CAS 165404-37-5) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-(dimethylamino)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-(2-thienyl)acrylonitrile, (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile, Y-9513, (Z)-3-(dimethylamino)-2-thiophen-2-ylprop-2-enenitrile, 10B-112
Technical Specifications
| Molecular Formula | C9H10N2S |
| Molecular Weight | 178.05647 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.05647 Da |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
| SMILES | CN(C)/C=C(/C#N)\C1=CC=CS1 |
| InChIKey | TVIDDBIVPKWZNG-FPLPWBNLSA-N |
Chemical Property Profile of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile
Property Insights of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 55.3 Ų, (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)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 (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile?
The CAS number of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile is 165404-37-5.
What is the molecular formula of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile?
The molecular formula of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile is C9H10N2S.
What is the molecular weight of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile?
The molecular weight of (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile is 178.05647 g/mol.
Where can I buy (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile?
You can request a quote for (2Z)-3-(dimethylamino)-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 (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (2Z)-3-(dimethylamino)-2-(thiophen-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.