Cheirolin
TL;DR: Cheirolin (CAS 505-34-0) is a chemical compound with molecular formula C5H9NO2S2 and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-3-methylsulfonylpropane
Also Known As: Cheirolin, Cheiroline, Methylpropylsulfone mustard oil, Cheirolin, 97%, 4,4-Dimethylpiperidine
| Molecular Formula | C5H9NO2S2 |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.00748 |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 505-34-0 |
|---|---|
| SMILES | CS(=O)(=O)CCCN=C=S |
| InChIKey | ZSJGCHNCYSHQEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cheirolin (CAS 505-34-0), with molecular formula C5H9NO2S2 and molecular weight 179.01 g/mol. IUPAC: 1-isothiocyanato-3-methylsulfonylpropane.
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
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 179.01 g/mol.
Where can I buy Cheirolin?
You can request a quote for Cheirolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cheirolin?
Yes, KEHONG BIO provides custom synthesis services for Cheirolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.