((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile
TL;DR: ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile (CAS 20893-01-0) is a chemical compound with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(dicyanomethylideneamino) 4-methylbenzenesulfonate
Also Known As: (tosyloxy)carbonimidoyl dicyanide, (Tosyloxyimino)malononitrile, o-tosylisonitrosomalononitrile, 2-(Tosyloxyimino)malononitrile, ZERO/008391
| Molecular Formula | C10H7N3O3S |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.02081 |
| Heavy Atoms | 17 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 20893-01-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C#N |
| InChIKey | XNCHCTURBIVYBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile (CAS 20893-01-0), with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol. IUPAC: (dicyanomethylideneamino) 4-methylbenzenesulfonate.
Chemical Property Profile of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile
Property Insights of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile. Following Lipinski's Rule of Five, ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile has 0 hydrogen bond donor(s) and 6 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 ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile?
The CAS number of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile is 20893-01-0.
What is the molecular formula of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile?
The molecular formula of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile is C10H7N3O3S.
What is the molecular weight of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile?
The molecular weight of ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile is 249.02 g/mol.
Where can I buy ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile?
You can request a quote for ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for ((((4-Methylphenyl)sulphonyl)oxy)imino)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.