![2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide structure](/static/products/374/37401-21-1.png)
2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide
TL;DR: 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide (CAS 37401-21-1) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enethioamide
Also Known As: 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide, (E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enethioamide, (2E)-2-CYANO-3-[4-(DIMETHYLAMINO)PHENYL]PROP-2-ENETHIOAMIDE, 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enethioamide, 2-Propenethioamide,2-cyano-3-[4-(dimethylamino)phenyl]
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 1.94568 |
| Topological Polar Surface Area | 53.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 452.14737 |
Chemical Identifiers
| CAS Number | 37401-21-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=S)N |
Product Overview
2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide (CAS 37401-21-1), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: (E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide
Property Insights of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide
The XLogP value of 1.94568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide. With a topological polar surface area (TPSA) of 53.05 Ų, 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide has 1 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 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide?
The CAS number of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide is 37401-21-1.
What is the molecular formula of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide?
The molecular formula of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide is C12H13N3S.
What is the molecular weight of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide?
The molecular weight of 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide is 231.08 g/mol.
Where can I buy 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide?
You can request a quote for 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-[4-(dimethylamino)phenyl]thioacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.