2-(2-Chlorobenzenesulfonyl) acetonitrile
TL;DR: 2-(2-Chlorobenzenesulfonyl) acetonitrile (CAS 87475-56-7) is a chemical compound with molecular formula C8H6ClNO2S and molecular weight 214.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)sulfonylacetonitrile
Also Known As: 2-(2-chlorophenyl)sulfonylacetonitrile, 2-(2-chlorobenzenesulfonyl) acetonitrile, 2-Chlorophenylsulfonyl-acetonitril, 2-(2-chlorophenylsulfonyl)acetonitrile, (2-Chlorobenzene-1-sulfonyl)acetonitrile
| Molecular Formula | C8H6ClNO2S |
|---|---|
| Molecular Weight | 214.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.98077 |
| Heavy Atoms | 13 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 87475-56-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)CC#N)Cl |
| InChIKey | ITUDCEPQACNIEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Chlorobenzenesulfonyl) acetonitrile (CAS 87475-56-7), with molecular formula C8H6ClNO2S and molecular weight 214.98 g/mol. IUPAC: 2-(2-chlorophenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-(2-Chlorobenzenesulfonyl) acetonitrile
Property Insights of 2-(2-Chlorobenzenesulfonyl) acetonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chlorobenzenesulfonyl) acetonitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chlorobenzenesulfonyl) acetonitrile. Following Lipinski's Rule of Five, 2-(2-Chlorobenzenesulfonyl) 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-(2-Chlorobenzenesulfonyl) acetonitrile?
The CAS number of 2-(2-Chlorobenzenesulfonyl) acetonitrile is 87475-56-7.
What is the molecular formula of 2-(2-Chlorobenzenesulfonyl) acetonitrile?
The molecular formula of 2-(2-Chlorobenzenesulfonyl) acetonitrile is C8H6ClNO2S.
What is the molecular weight of 2-(2-Chlorobenzenesulfonyl) acetonitrile?
The molecular weight of 2-(2-Chlorobenzenesulfonyl) acetonitrile is 214.98 g/mol.
Where can I buy 2-(2-Chlorobenzenesulfonyl) acetonitrile?
You can request a quote for 2-(2-Chlorobenzenesulfonyl) acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorobenzenesulfonyl) acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorobenzenesulfonyl) acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.