硫二甘醇
TL;DR: 硫二甘醇 (CAS 111-48-8) is a chemical compound with molecular formula C4H10O2S and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫二甘醇
2-(2-hydroxyethylsulfanyl)ethanol
Also Known As: thiodiglycol, 2,2'-Thiodiethanol, Thiodiethanol, Tedegyl, Kromfax solvent
| Molecular Formula | C4H10O2S |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 122.04015 |
| Heavy Atoms | 7 |
| Complexity | 28.0 |
| Melting Point | -10.2 °C |
| Boiling Point | 282 °C |
| Density | 1.1793 g/cu cm at 25 °C |
| Solubility | In water, miscible at 20 °C |
| Flash Point | 113 °C (112.8 °C) - closed cup |
| Vapor Pressure | 0.00323 [mmHg] |
| Refractive Index | 1.5211 at 20 °C |
Chemical Identifiers
| CAS Number | 111-48-8 |
|---|---|
| SMILES | C(CSCCO)O |
| InChIKey | YODZTKMDCQEPHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫二甘醇 (CAS 111-48-8), with molecular formula C4H10O2S and molecular weight 122.04 g/mol. IUPAC: 2-(2-hydroxyethylsulfanyl)ethanol.
Chemical Property Profile of 硫二甘醇
Property Insights of 硫二甘醇
The XLogP value of -0.6 indicates that 硫二甘醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫二甘醇. Following Lipinski's Rule of Five, 硫二甘醇 has 2 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 硫二甘醇?
The CAS number of 硫二甘醇 is 111-48-8.
What is the molecular formula of 硫二甘醇?
The molecular formula of 硫二甘醇 is C4H10O2S.
What is the molecular weight of 硫二甘醇?
The molecular weight of 硫二甘醇 is 122.04 g/mol.
Where can I buy 硫二甘醇?
You can request a quote for 硫二甘醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫二甘醇?
Yes, KEHONG BIO provides custom synthesis services for 硫二甘醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.