Ethene-1,2-diyl bis(thiocyanate)
TL;DR: Ethene-1,2-diyl bis(thiocyanate) (CAS 4553-64-4) is a chemical compound with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiocyanatoethenyl thiocyanate
Also Known As: Vinylene ester, (E)-1,2-dithiocyanatoethene, 2-thiocyanatoethenyl thiocyanate, ethene-1,2-diyl bis(thiocyanate)
| Molecular Formula | C4H2N2S2 |
|---|---|
| Molecular Weight | 141.97 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.96594 |
| Heavy Atoms | 8 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 4553-64-4 |
|---|---|
| SMILES | C(=CSC#N)SC#N |
| InChIKey | MNCUCCJMXIWMJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethene-1,2-diyl bis(thiocyanate) (CAS 4553-64-4), with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol. IUPAC: 2-thiocyanatoethenyl thiocyanate.
Chemical Property Profile of Ethene-1,2-diyl bis(thiocyanate)
Property Insights of Ethene-1,2-diyl bis(thiocyanate)
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethene-1,2-diyl bis(thiocyanate). The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethene-1,2-diyl bis(thiocyanate). Following Lipinski's Rule of Five, Ethene-1,2-diyl bis(thiocyanate) 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 Ethene-1,2-diyl bis(thiocyanate)?
The CAS number of Ethene-1,2-diyl bis(thiocyanate) is 4553-64-4.
What is the molecular formula of Ethene-1,2-diyl bis(thiocyanate)?
The molecular formula of Ethene-1,2-diyl bis(thiocyanate) is C4H2N2S2.
What is the molecular weight of Ethene-1,2-diyl bis(thiocyanate)?
The molecular weight of Ethene-1,2-diyl bis(thiocyanate) is 141.97 g/mol.
Where can I buy Ethene-1,2-diyl bis(thiocyanate)?
You can request a quote for Ethene-1,2-diyl bis(thiocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethene-1,2-diyl bis(thiocyanate)?
Yes, KEHONG BIO provides custom synthesis services for Ethene-1,2-diyl bis(thiocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.