Erysolin
TL;DR: Erysolin (CAS 504-84-7) is a chemical compound with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-methylsulfonylbutane
Also Known As: Erysolin, Spectrum2_001443, Spectrum3_001471, Spectrum4_001909, Spectrum5_000598
| Molecular Formula | C6H11NO2S2 |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 0.914 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.02312 |
| Heavy Atoms | 11 |
| Complexity | 239.30789 |
Chemical Identifiers
| CAS Number | 504-84-7 |
|---|---|
| SMILES | CS(=O)(=O)CCCCN=C=S |
Product Overview
Erysolin (CAS 504-84-7), with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol. IUPAC: 1-isothiocyanato-4-methylsulfonylbutane.
Chemical Property Profile of Erysolin
Property Insights of Erysolin
The XLogP value of 0.914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erysolin. With a topological polar surface area (TPSA) of 46.5 Ų, Erysolin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Erysolin 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 Erysolin?
The CAS number of Erysolin is 504-84-7.
What is the molecular formula of Erysolin?
The molecular formula of Erysolin is C6H11NO2S2.
What is the molecular weight of Erysolin?
The molecular weight of Erysolin is 193.02 g/mol.
Where can I buy Erysolin?
You can request a quote for Erysolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erysolin?
Yes, KEHONG BIO provides custom synthesis services for Erysolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.