Sulfide, tert-butyl octyl
TL;DR: Sulfide, tert-butyl octyl (CAS 6044-58-2) 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-tert-butylsulfanyloctane
Also Known As: Sulfide, tert-butyl octyl, 1-(tert-butylsulfanyl)octane, tert-butyl-octyl-sulfide, Octyl tert-butyl sulfide, 1-tert-butylsulfanyloctane
| Molecular Formula | C12H26S |
|---|---|
| Molecular Weight | 202.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.17552 |
| Heavy Atoms | 13 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 6044-58-2 |
|---|---|
| SMILES | CCCCCCCCSC(C)(C)C |
| InChIKey | MNLAIIIKXCPPDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfide, tert-butyl octyl (CAS 6044-58-2), with molecular formula C12H26S and molecular weight 202.18 g/mol. IUPAC: 1-tert-butylsulfanyloctane.
Chemical Property Profile of Sulfide, tert-butyl octyl
Property Insights of Sulfide, tert-butyl octyl
The XLogP value of 5.3 indicates that Sulfide, tert-butyl octyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Sulfide, tert-butyl octyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfide, tert-butyl octyl 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 Sulfide, tert-butyl octyl?
The CAS number of Sulfide, tert-butyl octyl is 6044-58-2.
What is the molecular formula of Sulfide, tert-butyl octyl?
The molecular formula of Sulfide, tert-butyl octyl is C12H26S.
What is the molecular weight of Sulfide, tert-butyl octyl?
The molecular weight of Sulfide, tert-butyl octyl is 202.18 g/mol.
Where can I buy Sulfide, tert-butyl octyl?
You can request a quote for Sulfide, tert-butyl octyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, tert-butyl octyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, tert-butyl octyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.