Benzyl-2-hydroxyethyl-trisulfide
TL;DR: Benzyl-2-hydroxyethyl-trisulfide (CAS 40096-00-2) is a chemical compound with molecular formula C9H12OS3 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzyltrisulfanyl)ethanol
Also Known As: benzyl 2-hydroxyethyl trisulfide, Benzyl-2-hydroxyethyl-trisulfide, 2-(benzyltrisulfanyl)ethanol, 2-Hydroxyethyl benzyl trisulfide, Benzyl-2-hydroxyethyl-trisulfid
| Molecular Formula | C9H12OS3 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 3.2085 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.00504 |
| Heavy Atoms | 13 |
| Complexity | 215.35962 |
Chemical Identifiers
| CAS Number | 40096-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSSSCCO |
Product Overview
Benzyl-2-hydroxyethyl-trisulfide (CAS 40096-00-2), with molecular formula C9H12OS3 and molecular weight 232.01 g/mol. IUPAC: 2-(benzyltrisulfanyl)ethanol.
Chemical Property Profile of Benzyl-2-hydroxyethyl-trisulfide
Property Insights of Benzyl-2-hydroxyethyl-trisulfide
The XLogP value of 3.2085 indicates that Benzyl-2-hydroxyethyl-trisulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Benzyl-2-hydroxyethyl-trisulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-2-hydroxyethyl-trisulfide has 1 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 Benzyl-2-hydroxyethyl-trisulfide?
The CAS number of Benzyl-2-hydroxyethyl-trisulfide is 40096-00-2.
What is the molecular formula of Benzyl-2-hydroxyethyl-trisulfide?
The molecular formula of Benzyl-2-hydroxyethyl-trisulfide is C9H12OS3.
What is the molecular weight of Benzyl-2-hydroxyethyl-trisulfide?
The molecular weight of Benzyl-2-hydroxyethyl-trisulfide is 232.01 g/mol.
Where can I buy Benzyl-2-hydroxyethyl-trisulfide?
You can request a quote for Benzyl-2-hydroxyethyl-trisulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-2-hydroxyethyl-trisulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-2-hydroxyethyl-trisulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.