Ethyl isopropyl sulphide
TL;DR: Ethyl isopropyl sulphide (CAS 5145-99-3) 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.
2-ethylsulfanylpropane
Also Known As: Ethyl isopropyl sulfide, 2-(Ethylthio)propane, 2-ethylsulfanylpropane, Ethyl isopropyl sulphide, Propane, 2-(ethylthio)-
| Molecular Formula | C5H12S |
|---|---|
| Molecular Weight | 104.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.06597 |
| Heavy Atoms | 6 |
| Complexity | 25.0 |
Chemical Identifiers
| CAS Number | 5145-99-3 |
|---|---|
| SMILES | CCSC(C)C |
| InChIKey | NZUQQADVSXWVNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl isopropyl sulphide (CAS 5145-99-3), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: 2-ethylsulfanylpropane.
Chemical Property Profile of Ethyl isopropyl sulphide
Property Insights of Ethyl isopropyl sulphide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isopropyl sulphide. With a topological polar surface area (TPSA) of 25.3 Ų, Ethyl isopropyl sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isopropyl sulphide 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 isopropyl sulphide?
The CAS number of Ethyl isopropyl sulphide is 5145-99-3.
What is the molecular formula of Ethyl isopropyl sulphide?
The molecular formula of Ethyl isopropyl sulphide is C5H12S.
What is the molecular weight of Ethyl isopropyl sulphide?
The molecular weight of Ethyl isopropyl sulphide is 104.07 g/mol.
Where can I buy Ethyl isopropyl sulphide?
You can request a quote for Ethyl isopropyl sulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isopropyl sulphide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isopropyl sulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.