Tetracarbonyl carbonothioyl iron
TL;DR: Tetracarbonyl carbonothioyl iron (CAS 66517-47-3) is a chemical compound with molecular formula C5FeO4S and molecular weight 211.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbon monoxide;sulfanylidenemethylideneiron
Also Known As: Tetracarbonyl carbonothioyl iron, Fe(CO)4CS
| Molecular Formula | C5FeO4S |
|---|---|
| Molecular Weight | 211.89 g/mol |
| LogP | 0.21736 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.88666 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 66517-47-3 |
|---|---|
| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(=S)=[Fe] |
| InChIKey | LMLVXYURSHOGBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetracarbonyl carbonothioyl iron (CAS 66517-47-3), with molecular formula C5FeO4S and molecular weight 211.89 g/mol. IUPAC: carbon monoxide;sulfanylidenemethylideneiron.
Chemical Property Profile of Tetracarbonyl carbonothioyl iron
Property Insights of Tetracarbonyl carbonothioyl iron
The XLogP value of 0.21736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetracarbonyl carbonothioyl iron. With a topological polar surface area (TPSA) of 36.1 Ų, Tetracarbonyl carbonothioyl iron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetracarbonyl carbonothioyl iron has 0 hydrogen bond donor(s) and 5 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 Tetracarbonyl carbonothioyl iron?
The CAS number of Tetracarbonyl carbonothioyl iron is 66517-47-3.
What is the molecular formula of Tetracarbonyl carbonothioyl iron?
The molecular formula of Tetracarbonyl carbonothioyl iron is C5FeO4S.
What is the molecular weight of Tetracarbonyl carbonothioyl iron?
The molecular weight of Tetracarbonyl carbonothioyl iron is 211.89 g/mol.
Where can I buy Tetracarbonyl carbonothioyl iron?
You can request a quote for Tetracarbonyl carbonothioyl iron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetracarbonyl carbonothioyl iron?
Yes, KEHONG BIO provides custom synthesis services for Tetracarbonyl carbonothioyl iron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.