1,4-Bis(hydroxyethylthiomethyl)benzene
TL;DR: 1,4-Bis(hydroxyethylthiomethyl)benzene (CAS 73909-63-4) is a chemical compound with molecular formula C12H18O2S2 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-hydroxyethylsulfanylmethyl)phenyl]methylsulfanyl]ethanol
Also Known As: NCIOpen2_005990, 1,4-bis(hydroxyethylthiomethyl)benzene, 1,6-Dioxaspiro[4.5]decane,2,7-dimethyl, 1,4-bis-[(2-hydroxy-ethylsulfanyl)-methyl]-benzene, 2-[[4-(2-hydroxyethylsulfanylmethyl)phenyl]methylsulfanyl]ethanol
| Molecular Formula | C12H18O2S2 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.07483 |
| Heavy Atoms | 16 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 73909-63-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCCO)CSCCO |
| InChIKey | PQQKUWMULZZXIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(hydroxyethylthiomethyl)benzene (CAS 73909-63-4), with molecular formula C12H18O2S2 and molecular weight 258.07 g/mol. IUPAC: 2-[[4-(2-hydroxyethylsulfanylmethyl)phenyl]methylsulfanyl]ethanol.
Chemical Property Profile of 1,4-Bis(hydroxyethylthiomethyl)benzene
Property Insights of 1,4-Bis(hydroxyethylthiomethyl)benzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(hydroxyethylthiomethyl)benzene. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis(hydroxyethylthiomethyl)benzene. Following Lipinski's Rule of Five, 1,4-Bis(hydroxyethylthiomethyl)benzene has 2 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 1,4-Bis(hydroxyethylthiomethyl)benzene?
The CAS number of 1,4-Bis(hydroxyethylthiomethyl)benzene is 73909-63-4.
What is the molecular formula of 1,4-Bis(hydroxyethylthiomethyl)benzene?
The molecular formula of 1,4-Bis(hydroxyethylthiomethyl)benzene is C12H18O2S2.
What is the molecular weight of 1,4-Bis(hydroxyethylthiomethyl)benzene?
The molecular weight of 1,4-Bis(hydroxyethylthiomethyl)benzene is 258.07 g/mol.
Where can I buy 1,4-Bis(hydroxyethylthiomethyl)benzene?
You can request a quote for 1,4-Bis(hydroxyethylthiomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(hydroxyethylthiomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(hydroxyethylthiomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.