Octane, 1-(butylthio)-
TL;DR: Octane, 1-(butylthio)- (CAS 16900-07-5) 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-butylsulfanyloctane
Also Known As: Octane, 1-(butylthio)-, 1-butylsulfanyloctane, Sulfide, butyl octyl, 5-Thiatridecane, butyloctyl sulfide
| Molecular Formula | C12H26S |
|---|---|
| Molecular Weight | 202.18 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 202.17552 |
| Heavy Atoms | 13 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 16900-07-5 |
|---|---|
| SMILES | CCCCCCCCSCCCC |
| InChIKey | UNIAPWPIAGJFDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octane, 1-(butylthio)- (CAS 16900-07-5), with molecular formula C12H26S and molecular weight 202.18 g/mol. IUPAC: 1-butylsulfanyloctane.
Chemical Property Profile of Octane, 1-(butylthio)-
Property Insights of Octane, 1-(butylthio)-
The XLogP value of 6.0 indicates that Octane, 1-(butylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Octane, 1-(butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane, 1-(butylthio)- 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 Octane, 1-(butylthio)-?
The CAS number of Octane, 1-(butylthio)- is 16900-07-5.
What is the molecular formula of Octane, 1-(butylthio)-?
The molecular formula of Octane, 1-(butylthio)- is C12H26S.
What is the molecular weight of Octane, 1-(butylthio)-?
The molecular weight of Octane, 1-(butylthio)- is 202.18 g/mol.
Where can I buy Octane, 1-(butylthio)-?
You can request a quote for Octane, 1-(butylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane, 1-(butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Octane, 1-(butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.