Ethyl isobutyl sulfide
TL;DR: Ethyl isobutyl sulfide (CAS 1613-45-2) is a chemical compound with molecular formula C6H14S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-2-methylpropane
Also Known As: Ethyl isobutyl sulfide, Sulfide, ethyl isobutyl, ethylisobutyl sulfide, Ethylisobutylsulfide, Isobutylethyl sulfide
| Molecular Formula | C6H14S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 1613-45-2 |
|---|---|
| SMILES | CCSCC(C)C |
| InChIKey | OIRKGXWQBSPXLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl isobutyl sulfide (CAS 1613-45-2), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: 1-ethylsulfanyl-2-methylpropane.
Chemical Property Profile of Ethyl isobutyl sulfide
Property Insights of Ethyl isobutyl sulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isobutyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Ethyl isobutyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isobutyl 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 isobutyl sulfide?
The CAS number of Ethyl isobutyl sulfide is 1613-45-2.
What is the molecular formula of Ethyl isobutyl sulfide?
The molecular formula of Ethyl isobutyl sulfide is C6H14S.
What is the molecular weight of Ethyl isobutyl sulfide?
The molecular weight of Ethyl isobutyl sulfide is 118.08 g/mol.
Where can I buy Ethyl isobutyl sulfide?
You can request a quote for Ethyl isobutyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isobutyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isobutyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.