Cheirolin
TL;DR: Cheirolin (CAS 505-34-0) is a chemical compound with molecular formula C5H9NO2S2 and molecular weight 179.00748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isothiocyanato-3-methylsulfonylpropane
Also Known As: Cheirolin, Cheiroline, Methylpropylsulfone mustard oil, Cheirolin, 97%, 4,4-Dimethylpiperidine
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9NO2S2 |
| Molecular Weight | 179.00748 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.00748 Da |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
| SMILES | CS(=O)(=O)CCCN=C=S |
| InChIKey | ZSJGCHNCYSHQEU-UHFFFAOYSA-N |
Product Description
Applications: Cheirolin is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. 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).
Cheirolin is a pharmaceutical intermediate identified by CAS number 505-34-0 and the molecular formula C5H9NO2S2 and a molecular weight of 179.01 g/mol. Synonyms include Cheirolin and Cheiroline.
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 Cheirolin
Property Insights of Cheirolin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cheirolin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cheirolin. Following Lipinski's Rule of Five, Cheirolin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cheirolin?
The CAS number of Cheirolin is 505-34-0.
What is the molecular formula of Cheirolin?
The molecular formula of Cheirolin is C5H9NO2S2.
What is the molecular weight of Cheirolin?
The molecular weight of Cheirolin is 179.00748 g/mol.
What are the applications of Cheirolin?
Cheirolin is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. 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),...
Where can I buy Cheirolin?
You can request a quote for Cheirolin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cheirolin?
Yes, CoreyChem provides custom synthesis services for Cheirolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.