(METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE
TL;DR: (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE (CAS 56075-42-4) is a chemical compound with molecular formula C9H9NO4S2 and molecular weight 259.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-2-methylsulfonylacetonitrile
Also Known As: (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE, 2-(benzenesulfonyl)-2-methylsulfonylacetonitrile, (Benzenesulfonyl)(methanesulfonyl)acetonitrile, 2-(benzenesulfonyl)-2-methanesulfonylacetonitrile, 651-670-1
| Molecular Formula | C9H9NO4S2 |
|---|---|
| Molecular Weight | 259.00 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9973 |
| Heavy Atoms | 16 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 56075-42-4 |
|---|---|
| SMILES | CS(=O)(=O)C(C#N)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | AEOQDPYDVGUUMY-UHFFFAOYSA-N |
Product Overview
(METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE (CAS 56075-42-4), with molecular formula C9H9NO4S2 and molecular weight 259.00 g/mol. IUPAC: 2-(benzenesulfonyl)-2-methylsulfonylacetonitrile.
Chemical Property Profile of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE
Property Insights of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE. Following Lipinski's Rule of Five, (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE has 0 hydrogen bond donor(s) and 5 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 (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE?
The CAS number of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE is 56075-42-4.
What is the molecular formula of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE?
The molecular formula of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE is C9H9NO4S2.
What is the molecular weight of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE?
The molecular weight of (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE is 259.00 g/mol.
Where can I buy (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE?
You can request a quote for (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE?
Yes, KEHONG BIO provides custom synthesis services for (METHYLSULFONYL)(PHENYLSULFONYL)ACETONITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.