3-Methylsulfonylcyclohexane-1-carbonitrile
TL;DR: 3-Methylsulfonylcyclohexane-1-carbonitrile (CAS 153495-69-3) is a chemical compound with molecular formula C8H13NO2S and molecular weight 187.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfonylcyclohexane-1-carbonitrile
Also Known As: 3-cyanocyclohexyl methyl sulfone, 3-methylsulfonylcyclohexane-1-carbonitrile
Technical Specifications
| Molecular Formula | C8H13NO2S |
| Molecular Weight | 187.0667 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.0667 Da |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
| SMILES | CS(=O)(=O)C1CCCC(C1)C#N |
| InChIKey | DDJWKDRTKJCAAX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylsulfonylcyclohexane-1-carbonitrile
Property Insights of 3-Methylsulfonylcyclohexane-1-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylsulfonylcyclohexane-1-carbonitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylsulfonylcyclohexane-1-carbonitrile. Following Lipinski's Rule of Five, 3-Methylsulfonylcyclohexane-1-carbonitrile 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
What is the CAS number of 3-Methylsulfonylcyclohexane-1-carbonitrile?
The CAS number of 3-Methylsulfonylcyclohexane-1-carbonitrile is 153495-69-3.
What is the molecular formula of 3-Methylsulfonylcyclohexane-1-carbonitrile?
The molecular formula of 3-Methylsulfonylcyclohexane-1-carbonitrile is C8H13NO2S.
What is the molecular weight of 3-Methylsulfonylcyclohexane-1-carbonitrile?
The molecular weight of 3-Methylsulfonylcyclohexane-1-carbonitrile is 187.0667 g/mol.
Where can I buy 3-Methylsulfonylcyclohexane-1-carbonitrile?
You can request a quote for 3-Methylsulfonylcyclohexane-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylsulfonylcyclohexane-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Methylsulfonylcyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.