(1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile
TL;DR: (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile (CAS 175137-63-0) is a chemical compound with molecular formula C6H7N3O2S and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylimidazol-2-yl)sulfonylacetonitrile
Also Known As: 2-(1-methylimidazol-2-yl)sulfonylacetonitrile, (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile, 2-(2-thienylsulfonyl)ethanenitrile, (1-METHYLIMIDAZOL-2-YL)SULFONYLACETONITRILE, 1-Methyl-1H-imidazole-2-sulfonylacetonitrile
| Molecular Formula | C6H7N3O2S |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | -0.28262 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.0259 |
| Heavy Atoms | 12 |
| Complexity | 412.24677 |
Chemical Identifiers
| CAS Number | 175137-63-0 |
|---|---|
| SMILES | CN1C=CN=C1S(=O)(=O)CC#N |
Product Overview
(1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile (CAS 175137-63-0), with molecular formula C6H7N3O2S and molecular weight 185.03 g/mol. IUPAC: 2-(1-methylimidazol-2-yl)sulfonylacetonitrile.
Chemical Property Profile of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile
Property Insights of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile
The XLogP value of -0.28262 indicates that (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile. Following Lipinski's Rule of Five, (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile has 0 hydrogen bond donor(s) and 4 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 (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile?
The CAS number of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile is 175137-63-0.
What is the molecular formula of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile?
The molecular formula of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile is C6H7N3O2S.
What is the molecular weight of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile?
The molecular weight of (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile is 185.03 g/mol.
Where can I buy (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile?
You can request a quote for (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1-Methyl-1H-imidazole-2-sulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.