硫氰酸甲酯
TL;DR: 硫氰酸甲酯 (CAS 556-64-9) is a chemical compound with molecular formula C2H3NS and molecular weight 73.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸甲酯
methyl thiocyanate
Also Known As: METHYL THIOCYANATE, Methylrhodanid, Methyl sulfocyanate, Methyl rhodanate, Methylthiokyanat
| Molecular Formula | C2H3NS |
|---|---|
| Molecular Weight | 73.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 72.99862 |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| Melting Point | -51.1 °C |
| Boiling Point | 266 to 132.8 °C at 760 mmHg |
| Density | 1.068 at 25.0 °C |
| Solubility | VERY SLIGHTLY SOL IN WATER; MISCIBLE WITH ALC, ETHER |
| Vapor Pressure | 10 mmHg at 21.6 °C |
| Refractive Index | 1.4669 @ 25 °C |
Chemical Identifiers
| CAS Number | 556-64-9 |
|---|---|
| SMILES | CSC#N |
| InChIKey | VYHVQEYOFIYNJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫氰酸甲酯 (CAS 556-64-9), with molecular formula C2H3NS and molecular weight 73.00 g/mol. IUPAC: methyl thiocyanate.
Chemical Property Profile of 硫氰酸甲酯
Property Insights of 硫氰酸甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸甲酯. With a topological polar surface area (TPSA) of 49.1 Ų, 硫氰酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸甲酯 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
Frequently Asked Questions
What is the CAS number of 硫氰酸甲酯?
The CAS number of 硫氰酸甲酯 is 556-64-9.
What is the molecular formula of 硫氰酸甲酯?
The molecular formula of 硫氰酸甲酯 is C2H3NS.
What is the molecular weight of 硫氰酸甲酯?
The molecular weight of 硫氰酸甲酯 is 73.00 g/mol.
Where can I buy 硫氰酸甲酯?
You can request a quote for 硫氰酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.