Cyanogen isothiocyanate
TL;DR: Cyanogen isothiocyanate (CAS 56023-03-1) is a chemical compound with molecular formula C2N2S and molecular weight 83.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbononitridic isothiocyanate
Also Known As: Cyanogen isothiocyanate, Cyanthiocarbimid, Cyanisothiocyanat, Cyano isothiocyanate, carbononitridic isothiocyanate
| Molecular Formula | C2N2S |
|---|---|
| Molecular Weight | 83.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.97822 |
| Heavy Atoms | 5 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 56023-03-1 |
|---|---|
| SMILES | C(#N)N=C=S |
| InChIKey | VMPYZMFURVPIHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanogen isothiocyanate (CAS 56023-03-1), with molecular formula C2N2S and molecular weight 83.98 g/mol. IUPAC: carbononitridic isothiocyanate.
Chemical Property Profile of Cyanogen isothiocyanate
Property Insights of Cyanogen isothiocyanate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanogen isothiocyanate. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanogen isothiocyanate. Following Lipinski's Rule of Five, Cyanogen isothiocyanate 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 Cyanogen isothiocyanate?
The CAS number of Cyanogen isothiocyanate is 56023-03-1.
What is the molecular formula of Cyanogen isothiocyanate?
The molecular formula of Cyanogen isothiocyanate is C2N2S.
What is the molecular weight of Cyanogen isothiocyanate?
The molecular weight of Cyanogen isothiocyanate is 83.98 g/mol.
Where can I buy Cyanogen isothiocyanate?
You can request a quote for Cyanogen isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanogen isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Cyanogen isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.