5-Thiadodecane
TL;DR: 5-Thiadodecane (CAS 4113-98-8) is a chemical compound with molecular formula C11H24S and molecular weight 188.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanylheptane
Also Known As: 5-Thiadodecane, 1-butylsulfanylheptane, butyl heptyl sulfide, n-butyl heptyl sulfide, Heptane, 1-(butylthio)-
| Molecular Formula | C11H24S |
|---|---|
| Molecular Weight | 188.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.15987 |
| Heavy Atoms | 12 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 4113-98-8 |
|---|---|
| SMILES | CCCCCCCSCCCC |
| InChIKey | HYUPOCGXBZUYFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Thiadodecane (CAS 4113-98-8), with molecular formula C11H24S and molecular weight 188.16 g/mol. IUPAC: 1-butylsulfanylheptane.
Chemical Property Profile of 5-Thiadodecane
Property Insights of 5-Thiadodecane
The XLogP value of 5.0 indicates that 5-Thiadodecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 5-Thiadodecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Thiadodecane has 0 hydrogen bond donor(s) and 1 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 5-Thiadodecane?
The CAS number of 5-Thiadodecane is 4113-98-8.
What is the molecular formula of 5-Thiadodecane?
The molecular formula of 5-Thiadodecane is C11H24S.
What is the molecular weight of 5-Thiadodecane?
The molecular weight of 5-Thiadodecane is 188.16 g/mol.
Where can I buy 5-Thiadodecane?
You can request a quote for 5-Thiadodecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiadodecane?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiadodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.