(E)-4-amino-4-methylsulfanylbut-3-en-2-one
TL;DR: (E)-4-amino-4-methylsulfanylbut-3-en-2-one (CAS 139177-82-5) is a chemical compound with molecular formula C5H9NOS and molecular weight 131.04048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-amino-4-methylsulfanylbut-3-en-2-one
Also Known As: (E)-4-amino-4-methylsulfanylbut-3-en-2-one, SDCCGMLS-0065131.P001, 3-Buten-2-one,4-amino-4- -, -, 3-Buten-2-one, 4-amino-4-(methylthio)-, (E)- (9CI)
Technical Specifications
| Molecular Formula | C5H9NOS |
| Molecular Weight | 131.04048 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.04048 Da |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
| SMILES | CC(=O)/C=C(\N)/SC |
| InChIKey | LTQUAJUKSJDWEF-HWKANZROSA-N |
Chemical Property Profile of (E)-4-amino-4-methylsulfanylbut-3-en-2-one
Property Insights of (E)-4-amino-4-methylsulfanylbut-3-en-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-amino-4-methylsulfanylbut-3-en-2-one. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-amino-4-methylsulfanylbut-3-en-2-one. Following Lipinski's Rule of Five, (E)-4-amino-4-methylsulfanylbut-3-en-2-one 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
What is the CAS number of (E)-4-amino-4-methylsulfanylbut-3-en-2-one?
The CAS number of (E)-4-amino-4-methylsulfanylbut-3-en-2-one is 139177-82-5.
What is the molecular formula of (E)-4-amino-4-methylsulfanylbut-3-en-2-one?
The molecular formula of (E)-4-amino-4-methylsulfanylbut-3-en-2-one is C5H9NOS.
What is the molecular weight of (E)-4-amino-4-methylsulfanylbut-3-en-2-one?
The molecular weight of (E)-4-amino-4-methylsulfanylbut-3-en-2-one is 131.04048 g/mol.
Where can I buy (E)-4-amino-4-methylsulfanylbut-3-en-2-one?
You can request a quote for (E)-4-amino-4-methylsulfanylbut-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-amino-4-methylsulfanylbut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-4-amino-4-methylsulfanylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.