Ethylene dithiocyanate
TL;DR: Ethylene dithiocyanate (CAS 629-17-4) is a chemical compound with molecular formula C4H4N2S2 and molecular weight 143.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiocyanatoethyl thiocyanate
Also Known As: Ethylene dithiocyanate, Ethylene thiocyanate, Ethylenedithiocyanate, Ethylene 1,2-dithiocyanate, 1,2-Dithiocyanoethane
| Molecular Formula | C4H4N2S2 |
|---|---|
| Molecular Weight | 143.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.9816 |
| Heavy Atoms | 8 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 629-17-4 |
|---|---|
| SMILES | C(CSC#N)SC#N |
| InChIKey | LILPOSVDSDEBCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylene dithiocyanate (CAS 629-17-4), with molecular formula C4H4N2S2 and molecular weight 143.98 g/mol. IUPAC: 2-thiocyanatoethyl thiocyanate.
Chemical Property Profile of Ethylene dithiocyanate
Property Insights of Ethylene dithiocyanate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylene dithiocyanate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylene dithiocyanate. Following Lipinski's Rule of Five, Ethylene dithiocyanate 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 Ethylene dithiocyanate?
The CAS number of Ethylene dithiocyanate is 629-17-4.
What is the molecular formula of Ethylene dithiocyanate?
The molecular formula of Ethylene dithiocyanate is C4H4N2S2.
What is the molecular weight of Ethylene dithiocyanate?
The molecular weight of Ethylene dithiocyanate is 143.98 g/mol.
Where can I buy Ethylene dithiocyanate?
You can request a quote for Ethylene dithiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylene dithiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Ethylene dithiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.