4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester
TL;DR: 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester (CAS 113824-40-1) is a chemical compound with molecular formula C11H13NO3S2 and molecular weight 271.0337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-(4-methylsulfanylsulfonylphenyl)prop-2-enamide
Also Known As: J2.052.994F, 2-methyl-N-(4-methylsulfanylsulfonylphenyl)prop-2-enamide, 2-methyl-N-{4-[(methylsulfanyl)sulfonyl]phenyl}prop-2-enamide, 4-(2-METHYL-ACRYLOYLAMINO)-BENZENETHIOSULFONIC ACID S-METHYL ESTER, 4-(Methacryloylamino)benzene-1-thiosulfonic acid S-methyl ester
Technical Specifications
| Molecular Formula | C11H13NO3S2 |
| Molecular Weight | 271.0337 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0337 Da |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
| SMILES | CC(=C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)SC |
| InChIKey | FLAUUYKYQCTCKM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester
Property Insights of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester. Following Lipinski's Rule of Five, 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester 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
What is the CAS number of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester?
The CAS number of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester is 113824-40-1.
What is the molecular formula of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester?
The molecular formula of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester is C11H13NO3S2.
What is the molecular weight of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester?
The molecular weight of 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester is 271.0337 g/mol.
Where can I buy 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester?
You can request a quote for 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester?
Yes, CoreyChem provides custom synthesis services for 4-(2-Methyl-acryloylamino)-benzenethiosulfonic acid S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.