Methyl thiocyanate
TL;DR: Methyl thiocyanate (CAS 556-64-9) is a chemical compound with molecular formula C2H3NS and molecular weight 72.99862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl thiocyanate
Also Known As: METHYL THIOCYANATE, Methylrhodanid, Methyl sulfocyanate, Methyl rhodanate, Methylthiokyanat
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3NS |
| Molecular Weight | 72.99862 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 72.99862 Da |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| Melting Point | -60 °F (EPA, 1998) |
| Boiling Point | 266 to 271 °F at 760 mmHg (EPA, 1998) |
| Density | 1.068 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Pressure | 10 mmHg at 70.88 °F (EPA, 1998) |
| Refractive Index | INDEX OF REFRACTION: 1.4669 @ 25 °C/D |
| Solubility | VERY SLIGHTLY SOL IN WATER; MISCIBLE WITH ALC, ETHER |
| SMILES | CSC#N |
| InChIKey | VYHVQEYOFIYNJP-UHFFFAOYSA-N |
Product Description
Applications: Methyl thiocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
A heterocyclic building block supplied by CoreyChem, Methyl thiocyanate (CAS 556-64-9) has the molecular formula C2H3NS and a molecular weight of 73 g/mol. Reported properties include a density of 1.068 at 77 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: VERY SLIGHTLY SOL IN WATER; MISCIBLE WITH ALC, ETHER. Synonyms include METHYL THIOCYANATE and Methylrhodanid.
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 Methyl thiocyanate
Property Insights of Methyl thiocyanate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, Methyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl thiocyanate?
The CAS number of Methyl thiocyanate is 556-64-9.
What is the molecular formula of Methyl thiocyanate?
The molecular formula of Methyl thiocyanate is C2H3NS.
What is the molecular weight of Methyl thiocyanate?
The molecular weight of Methyl thiocyanate is 72.99862 g/mol.
What are the applications of Methyl thiocyanate?
Methyl thiocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Methyl thiocyanate?
You can request a quote for Methyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for Methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.