磺酰基二乙腈
TL;DR: 磺酰基二乙腈 (CAS 37463-94-8) is a chemical compound with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磺酰基二乙腈
2-(cyanomethylsulfonyl)acetonitrile
Also Known As: Sulfonyldiacetonitrile, Sulphonyl diacetonitrile, Sulfonyl diacetonitrile, SULPHONYLDIACETONITRILE, sulfonly diacetonitrile
| Molecular Formula | C4H4N2O2S |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.99934 |
| Heavy Atoms | 9 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 37463-94-8 |
|---|---|
| SMILES | C(C#N)S(=O)(=O)CC#N |
| InChIKey | NNVQUTWFTPKDBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磺酰基二乙腈 (CAS 37463-94-8), with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol. IUPAC: 2-(cyanomethylsulfonyl)acetonitrile.
Chemical Property Profile of 磺酰基二乙腈
Property Insights of 磺酰基二乙腈
The XLogP value of -0.8 indicates that 磺酰基二乙腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 磺酰基二乙腈. Following Lipinski's Rule of Five, 磺酰基二乙腈 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 磺酰基二乙腈?
The CAS number of 磺酰基二乙腈 is 37463-94-8.
What is the molecular formula of 磺酰基二乙腈?
The molecular formula of 磺酰基二乙腈 is C4H4N2O2S.
What is the molecular weight of 磺酰基二乙腈?
The molecular weight of 磺酰基二乙腈 is 144.00 g/mol.
Where can I buy 磺酰基二乙腈?
You can request a quote for 磺酰基二乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磺酰基二乙腈?
Yes, KEHONG BIO provides custom synthesis services for 磺酰基二乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.