3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile
TL;DR: 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile (CAS 1024742-87-7) is a chemical compound with molecular formula C12H14N2O2S2 and molecular weight 282.04968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile
Also Known As: 3-(METHYLAMINO)-2-((4-METHYLPHENYL)SULFONYL)-3-METHYLTHIOPROP-2-ENENITRILE, 3-methylamino-2-(4-methylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile, 3-(methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile
Technical Specifications
| Molecular Formula | C12H14N2O2S2 |
| Molecular Weight | 282.04968 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.04968 Da |
| Heavy Atoms | 18 |
| Complexity | 460.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(NC)SC)C#N |
| InChIKey | BRPCEPOAHATOES-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile
Property Insights of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile. Following Lipinski's Rule of Five, 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile?
The CAS number of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile is 1024742-87-7.
What is the molecular formula of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile?
The molecular formula of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile is C12H14N2O2S2.
What is the molecular weight of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile?
The molecular weight of 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile is 282.04968 g/mol.
Where can I buy 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile?
You can request a quote for 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Methylamino)-2-(4-methylphenyl)sulfonyl-3-methylsulfanylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.