Ethyl thiocyanate
TL;DR: Ethyl thiocyanate (CAS 542-90-5) is a chemical compound with molecular formula C3H5NS and molecular weight 87.01427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl thiocyanate
Also Known As: ETHYL THIOCYANATE, Ethylthiocyanate, Ethyl rhodanate, Aethylrhodanid, Ethyl rhodanide
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5NS |
| Molecular Weight | 87.01427 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 87.01427 Da |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
| Melting Point | -122 °F (EPA, 1998) |
| Boiling Point | 295 °F at 760 mmHg (EPA, 1998) |
| Density | 1.007 at 73.4 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Pressure | 4.83 [mmHg] |
| Refractive Index | Index of refraction: 1.4684 @ 15 °C/D |
| Solubility | Insoluble in water; miscible in ethanol, ethyl ether; soluble in chloroform |
| SMILES | CCSC#N |
| InChIKey | WFCLYEAZTHWNEH-UHFFFAOYSA-N |
Product Description
Applications: Ethyl thiocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl thiocyanate (CAS 542-90-5) is a heterocyclic building block with the molecular formula C3H5NS and a molecular weight of 87.01 g/mol. Key physical properties include a density of 1.007 at 73.4 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: Insoluble in water; miscible in ethanol, ethyl ether; soluble in chloroform. Synonyms include ETHYL THIOCYANATE and Ethylthiocyanate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl thiocyanate
Property Insights of Ethyl thiocyanate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, Ethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl thiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl thiocyanate?
The CAS number of Ethyl thiocyanate is 542-90-5.
What is the molecular formula of Ethyl thiocyanate?
The molecular formula of Ethyl thiocyanate is C3H5NS.
What is the molecular weight of Ethyl thiocyanate?
The molecular weight of Ethyl thiocyanate is 87.01427 g/mol.
What are the applications of Ethyl thiocyanate?
Ethyl thiocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl thiocyanate?
You can request a quote for Ethyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for Ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.