3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide
TL;DR: 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide (CAS 61254-25-9) is a chemical compound with molecular formula C7H9N3OS and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide
Also Known As: 3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide, (E)-3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide
| Molecular Formula | C7H9N3OS |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.04663 |
| Heavy Atoms | 12 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 61254-25-9 |
|---|---|
| SMILES | CSC(=C(C#N)C(=O)N)N1CC1 |
| InChIKey | TUTHKPNTFAPYQD-UHFFFAOYSA-N |
Product Overview
3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide (CAS 61254-25-9), with molecular formula C7H9N3OS and molecular weight 183.05 g/mol. IUPAC: 3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide.
Chemical Property Profile of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide
Property Insights of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide
The XLogP value of -0.1 indicates that 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide. Following Lipinski's Rule of Five, 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide has 1 hydrogen bond donor(s) and 4 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-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide?
The CAS number of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide is 61254-25-9.
What is the molecular formula of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide?
The molecular formula of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide is C7H9N3OS.
What is the molecular weight of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide?
The molecular weight of 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide is 183.05 g/mol.
Where can I buy 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide?
You can request a quote for 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.