3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile
TL;DR: 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile (CAS 165404-39-7) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-thiophen-3-ylprop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-(3-thienyl)acrylonitrile, 3-(DIMETHYLAMINO)-2-(THIOPHEN-3-YL)PROP-2-ENENITRILE, 3-(dimethylamino)-2-(3-thienyl)prop-2-enenitrile, 3-(dimethylamino)-2-thiophen-3-ylprop-2-enenitrile
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.17418 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 303.76956 |
Chemical Identifiers
| CAS Number | 165404-39-7 |
|---|---|
| SMILES | CN(C)C=C(C#N)C1=CSC=C1 |
Product Overview
3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile (CAS 165404-39-7), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 3-(dimethylamino)-2-thiophen-3-ylprop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile
Property Insights of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile
The XLogP value of 2.17418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(thiophen-3-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
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile?
The CAS number of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile is 165404-39-7.
What is the molecular formula of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile?
The molecular formula of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile is C9H10N2S.
What is the molecular weight of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile?
The molecular weight of 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile is 178.06 g/mol.
Where can I buy 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile?
You can request a quote for 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(thiophen-3-YL)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.