2-(Ethylsulfonyl)ethanol
TL;DR: 2-(Ethylsulfonyl)ethanol (CAS 513-12-2) is a chemical compound with molecular formula C4H10O3S and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfonylethanol
Also Known As: 2-(Ethylsulfonyl)ethanol, 2-ethylsulfonylethanol, Ethylsulfonylethanol, Ethylsulfonylethyl alcohol, 3-Iodoacetophenone
| Molecular Formula | C4H10O3S |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.03506 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 513-12-2 |
|---|---|
| SMILES | CCS(=O)(=O)CCO |
| InChIKey | LJNDRJPZYNGSKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylsulfonyl)ethanol (CAS 513-12-2), with molecular formula C4H10O3S and molecular weight 138.04 g/mol. IUPAC: 2-ethylsulfonylethanol.
Chemical Property Profile of 2-(Ethylsulfonyl)ethanol
Property Insights of 2-(Ethylsulfonyl)ethanol
The XLogP value of -0.7 indicates that 2-(Ethylsulfonyl)ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylsulfonyl)ethanol. Following Lipinski's Rule of Five, 2-(Ethylsulfonyl)ethanol has 1 hydrogen bond donor(s) and 3 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 2-(Ethylsulfonyl)ethanol?
The CAS number of 2-(Ethylsulfonyl)ethanol is 513-12-2.
What is the molecular formula of 2-(Ethylsulfonyl)ethanol?
The molecular formula of 2-(Ethylsulfonyl)ethanol is C4H10O3S.
What is the molecular weight of 2-(Ethylsulfonyl)ethanol?
The molecular weight of 2-(Ethylsulfonyl)ethanol is 138.04 g/mol.
Where can I buy 2-(Ethylsulfonyl)ethanol?
You can request a quote for 2-(Ethylsulfonyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylsulfonyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulfonyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.