2-(tert-Butylsulfonyl)acetonitrile
TL;DR: 2-(tert-Butylsulfonyl)acetonitrile (CAS 36635-64-0) is a chemical compound with molecular formula C6H11NO2S and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfonylacetonitrile
Also Known As: 2-(tert-Butylsulfonyl)acetonitrile, tert-Butylsulfonylacetonitrile, 2-tert-butylsulfonylacetonitrile, 2- ACETONITRILE, tert-Butanesulfonylacetonitrile
| Molecular Formula | C6H11NO2S |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 0.72328 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.05106 |
| Heavy Atoms | 10 |
| Complexity | 239.90182 |
Chemical Identifiers
| CAS Number | 36635-64-0 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)CC#N |
Product Overview
2-(tert-Butylsulfonyl)acetonitrile (CAS 36635-64-0), with molecular formula C6H11NO2S and molecular weight 161.05 g/mol. IUPAC: 2-tert-butylsulfonylacetonitrile.
Chemical Property Profile of 2-(tert-Butylsulfonyl)acetonitrile
Property Insights of 2-(tert-Butylsulfonyl)acetonitrile
The XLogP value of 0.72328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butylsulfonyl)acetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-(tert-Butylsulfonyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butylsulfonyl)acetonitrile 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-(tert-Butylsulfonyl)acetonitrile?
The CAS number of 2-(tert-Butylsulfonyl)acetonitrile is 36635-64-0.
What is the molecular formula of 2-(tert-Butylsulfonyl)acetonitrile?
The molecular formula of 2-(tert-Butylsulfonyl)acetonitrile is C6H11NO2S.
What is the molecular weight of 2-(tert-Butylsulfonyl)acetonitrile?
The molecular weight of 2-(tert-Butylsulfonyl)acetonitrile is 161.05 g/mol.
Where can I buy 2-(tert-Butylsulfonyl)acetonitrile?
You can request a quote for 2-(tert-Butylsulfonyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.