2-Hydroxyethyl heptyl sulfide
TL;DR: 2-Hydroxyethyl heptyl sulfide (CAS 26901-97-3) is a chemical compound with molecular formula C9H20OS and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylsulfanylethanol
Also Known As: 2-Hydroxyethyl heptyl sulfide, 2-heptylsulfanylethanol, Ethanol, 2-(heptylthio)-, 2-(heptylsulfanyl)ethan-1-ol, 2-Hydroxyethylheptyl sulfide
| Molecular Formula | C9H20OS |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 176.12349 |
| Heavy Atoms | 11 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 26901-97-3 |
|---|---|
| SMILES | CCCCCCCSCCO |
| InChIKey | SFQDKASLZODHCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxyethyl heptyl sulfide (CAS 26901-97-3), with molecular formula C9H20OS and molecular weight 176.12 g/mol. IUPAC: 2-heptylsulfanylethanol.
Chemical Property Profile of 2-Hydroxyethyl heptyl sulfide
Property Insights of 2-Hydroxyethyl heptyl sulfide
The XLogP value of 3.1 indicates that 2-Hydroxyethyl heptyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 2-Hydroxyethyl heptyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl heptyl sulfide has 1 hydrogen bond donor(s) and 2 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-Hydroxyethyl heptyl sulfide?
The CAS number of 2-Hydroxyethyl heptyl sulfide is 26901-97-3.
What is the molecular formula of 2-Hydroxyethyl heptyl sulfide?
The molecular formula of 2-Hydroxyethyl heptyl sulfide is C9H20OS.
What is the molecular weight of 2-Hydroxyethyl heptyl sulfide?
The molecular weight of 2-Hydroxyethyl heptyl sulfide is 176.12 g/mol.
Where can I buy 2-Hydroxyethyl heptyl sulfide?
You can request a quote for 2-Hydroxyethyl heptyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl heptyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl heptyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.