硫代甲酰氰
TL;DR: 硫代甲酰氰 (CAS 87598-22-9) is a chemical compound with molecular formula C2HNS and molecular weight 70.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代甲酰氰
methanethioyl cyanide
Also Known As: Thioformyl cyanide, N.equiv.CCHS, Thioxoacetonitrile, Acetonitrile, thioxo-, methanethioyl cyanide
| Molecular Formula | C2HNS |
|---|---|
| Molecular Weight | 70.98 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 70.98297 |
| Heavy Atoms | 4 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 87598-22-9 |
|---|---|
| SMILES | C(=S)C#N |
| InChIKey | UTFRCCFSSYHHPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代甲酰氰 (CAS 87598-22-9), with molecular formula C2HNS and molecular weight 70.98 g/mol. IUPAC: methanethioyl cyanide.
Chemical Property Profile of 硫代甲酰氰
Property Insights of 硫代甲酰氰
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代甲酰氰. With a topological polar surface area (TPSA) of 55.9 Ų, 硫代甲酰氰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代甲酰氰 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 硫代甲酰氰?
The CAS number of 硫代甲酰氰 is 87598-22-9.
What is the molecular formula of 硫代甲酰氰?
The molecular formula of 硫代甲酰氰 is C2HNS.
What is the molecular weight of 硫代甲酰氰?
The molecular weight of 硫代甲酰氰 is 70.98 g/mol.
Where can I buy 硫代甲酰氰?
You can request a quote for 硫代甲酰氰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代甲酰氰?
Yes, KEHONG BIO provides custom synthesis services for 硫代甲酰氰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.