3-Thiadecane
TL;DR: 3-Thiadecane (CAS 24768-44-3) is a chemical compound with molecular formula C9H20S and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanylheptane
Also Known As: 3-Thiadecane, ethyl heptyl sulfide, heptyl ethyl sulfide, 1-ethylsulfanylheptane, 1-ethylsulfanyl-heptane
| Molecular Formula | C9H20S |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.12857 |
| Heavy Atoms | 10 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 24768-44-3 |
|---|---|
| SMILES | CCCCCCCSCC |
| InChIKey | PYPULUCCVXMPFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiadecane (CAS 24768-44-3), with molecular formula C9H20S and molecular weight 160.13 g/mol. IUPAC: 1-ethylsulfanylheptane.
Chemical Property Profile of 3-Thiadecane
Property Insights of 3-Thiadecane
The XLogP value of 4.1 indicates that 3-Thiadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Thiadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiadecane 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 3-Thiadecane?
The CAS number of 3-Thiadecane is 24768-44-3.
What is the molecular formula of 3-Thiadecane?
The molecular formula of 3-Thiadecane is C9H20S.
What is the molecular weight of 3-Thiadecane?
The molecular weight of 3-Thiadecane is 160.13 g/mol.
Where can I buy 3-Thiadecane?
You can request a quote for 3-Thiadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiadecane?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.