1-Butoxy-2-phenylmercaptoethane
TL;DR: 1-Butoxy-2-phenylmercaptoethane (CAS 100520-02-3) is a chemical compound with molecular formula C12H18OS and molecular weight 210.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethylsulfanylbenzene
Also Known As: 1-butoxy-2-phenylsulfanyl-ethane, 2-butoxyethylsulfanylbenzene, [(2-butoxyethyl)sulfanyl]benzene, 1-butoxy-2-phenylmercaptoethane, 1-Butoxy-2-phenylmercapto-aethan
| Molecular Formula | C12H18OS |
|---|---|
| Molecular Weight | 210.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.10783 |
| Heavy Atoms | 14 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 100520-02-3 |
|---|---|
| SMILES | CCCCOCCSC1=CC=CC=C1 |
| InChIKey | MGSKBUYKFSLSBU-UHFFFAOYSA-N |
Product Overview
1-Butoxy-2-phenylmercaptoethane (CAS 100520-02-3), with molecular formula C12H18OS and molecular weight 210.11 g/mol. IUPAC: 2-butoxyethylsulfanylbenzene.
Chemical Property Profile of 1-Butoxy-2-phenylmercaptoethane
Property Insights of 1-Butoxy-2-phenylmercaptoethane
The XLogP value of 3.5 indicates that 1-Butoxy-2-phenylmercaptoethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 1-Butoxy-2-phenylmercaptoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-2-phenylmercaptoethane has 0 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 1-Butoxy-2-phenylmercaptoethane?
The CAS number of 1-Butoxy-2-phenylmercaptoethane is 100520-02-3.
What is the molecular formula of 1-Butoxy-2-phenylmercaptoethane?
The molecular formula of 1-Butoxy-2-phenylmercaptoethane is C12H18OS.
What is the molecular weight of 1-Butoxy-2-phenylmercaptoethane?
The molecular weight of 1-Butoxy-2-phenylmercaptoethane is 210.11 g/mol.
Where can I buy 1-Butoxy-2-phenylmercaptoethane?
You can request a quote for 1-Butoxy-2-phenylmercaptoethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-2-phenylmercaptoethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-2-phenylmercaptoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.