![1-[(Butan-2-yl)sulfanyl]octane structure](/static/products/916/91635-97-1.png)
1-[(Butan-2-yl)sulfanyl]octane
TL;DR: 1-[(Butan-2-yl)sulfanyl]octane (CAS 91635-97-1) is a chemical compound with molecular formula C12H26S and molecular weight 202.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-ylsulfanyloctane
Also Known As: 1-butan-2-ylsulfanyloctane, sec-butyl-octyl-sulfide, Octyl sec-butyl sulfide, 1-sec-butylsulfanyl-octane, 1-(butan-2-ylsulfanyl)octane
| Molecular Formula | C12H26S |
|---|---|
| Molecular Weight | 202.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.17552 |
| Heavy Atoms | 13 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 91635-97-1 |
|---|---|
| SMILES | CCCCCCCCSC(C)CC |
| InChIKey | WNRBAEDDPLHDGZ-UHFFFAOYSA-N |
Product Overview
1-[(Butan-2-yl)sulfanyl]octane (CAS 91635-97-1), with molecular formula C12H26S and molecular weight 202.18 g/mol. IUPAC: 1-butan-2-ylsulfanyloctane.
Chemical Property Profile of 1-[(Butan-2-yl)sulfanyl]octane
Property Insights of 1-[(Butan-2-yl)sulfanyl]octane
The XLogP value of 5.6 indicates that 1-[(Butan-2-yl)sulfanyl]octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-[(Butan-2-yl)sulfanyl]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Butan-2-yl)sulfanyl]octane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(Butan-2-yl)sulfanyl]octane?
The CAS number of 1-[(Butan-2-yl)sulfanyl]octane is 91635-97-1.
What is the molecular formula of 1-[(Butan-2-yl)sulfanyl]octane?
The molecular formula of 1-[(Butan-2-yl)sulfanyl]octane is C12H26S.
What is the molecular weight of 1-[(Butan-2-yl)sulfanyl]octane?
The molecular weight of 1-[(Butan-2-yl)sulfanyl]octane is 202.18 g/mol.
Where can I buy 1-[(Butan-2-yl)sulfanyl]octane?
You can request a quote for 1-[(Butan-2-yl)sulfanyl]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Butan-2-yl)sulfanyl]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Butan-2-yl)sulfanyl]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.