2-Methyl-2-(phenylsulfonyl)propanenitrile
TL;DR: 2-Methyl-2-(phenylsulfonyl)propanenitrile (CAS 36674-49-4) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-2-methylpropanenitrile
Also Known As: 2-methyl-2-(phenylsulfonyl)propanenitrile, 2-(benzenesulfonyl)-2-methylpropanenitrile, 2-(Phenylsulfonyl)-2-methylpropiononitrile, J1.678.751E, Propanenitrile, 2-methyl-2-(phenylsulfonyl)-
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.76248 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 454.64542 |
Chemical Identifiers
| CAS Number | 36674-49-4 |
|---|---|
| SMILES | CC(C)(C#N)S(=O)(=O)C1=CC=CC=C1 |
Product Overview
2-Methyl-2-(phenylsulfonyl)propanenitrile (CAS 36674-49-4), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 2-(benzenesulfonyl)-2-methylpropanenitrile.
Chemical Property Profile of 2-Methyl-2-(phenylsulfonyl)propanenitrile
Property Insights of 2-Methyl-2-(phenylsulfonyl)propanenitrile
The XLogP value of 1.76248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(phenylsulfonyl)propanenitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-Methyl-2-(phenylsulfonyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-(phenylsulfonyl)propanenitrile has 0 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-Methyl-2-(phenylsulfonyl)propanenitrile?
The CAS number of 2-Methyl-2-(phenylsulfonyl)propanenitrile is 36674-49-4.
What is the molecular formula of 2-Methyl-2-(phenylsulfonyl)propanenitrile?
The molecular formula of 2-Methyl-2-(phenylsulfonyl)propanenitrile is C10H11NO2S.
What is the molecular weight of 2-Methyl-2-(phenylsulfonyl)propanenitrile?
The molecular weight of 2-Methyl-2-(phenylsulfonyl)propanenitrile is 209.05 g/mol.
Where can I buy 2-Methyl-2-(phenylsulfonyl)propanenitrile?
You can request a quote for 2-Methyl-2-(phenylsulfonyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(phenylsulfonyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(phenylsulfonyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.