Ethyl propyl sulfide
TL;DR: Ethyl propyl sulfide (CAS 4110-50-3) is a chemical compound with molecular formula C5H12S and molecular weight 104.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanylpropane
Also Known As: Ethyl propyl sulfide, Ethyl n-propyl sulfide, 3-Thiahexane, 1-(Ethylthio)propane, Propane, 1-(ethylthio)-
| Molecular Formula | C5H12S |
|---|---|
| Molecular Weight | 104.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.06597 |
| Heavy Atoms | 6 |
| Complexity | 19.0 |
Chemical Identifiers
| CAS Number | 4110-50-3 |
|---|---|
| SMILES | CCCSCC |
| InChIKey | ZDDDFDQTSXYYSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl propyl sulfide (CAS 4110-50-3), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: 1-ethylsulfanylpropane.
Chemical Property Profile of Ethyl propyl sulfide
Property Insights of Ethyl propyl sulfide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl propyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Ethyl propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl propyl sulfide 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 Ethyl propyl sulfide?
The CAS number of Ethyl propyl sulfide is 4110-50-3.
What is the molecular formula of Ethyl propyl sulfide?
The molecular formula of Ethyl propyl sulfide is C5H12S.
What is the molecular weight of Ethyl propyl sulfide?
The molecular weight of Ethyl propyl sulfide is 104.07 g/mol.
Where can I buy Ethyl propyl sulfide?
You can request a quote for Ethyl propyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl propyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.