Ethyl isopropyl disulfide
TL;DR: Ethyl isopropyl disulfide (CAS 53966-36-2) is a chemical compound with molecular formula C5H12S2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethyldisulfanyl)propane
Also Known As: Ethyl isopropyl disulfide, 2-(Ethyldisulfanyl)propane, Disulfide, ethyl 1-methylethyl, 2-Methyl-3,4-dithiahexane, Ethyl i-propyl disulfide
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 53966-36-2 |
|---|---|
| SMILES | CCSSC(C)C |
| InChIKey | PUUCPZKSTXFGOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl isopropyl disulfide (CAS 53966-36-2), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 2-(ethyldisulfanyl)propane.
Chemical Property Profile of Ethyl isopropyl disulfide
Property Insights of Ethyl isopropyl disulfide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isopropyl disulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Ethyl isopropyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isopropyl disulfide has 0 hydrogen bond donor(s) and 2 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 disulfide?
The CAS number of Ethyl isopropyl disulfide is 53966-36-2.
What is the molecular formula of Ethyl isopropyl disulfide?
The molecular formula of Ethyl isopropyl disulfide is C5H12S2.
What is the molecular weight of Ethyl isopropyl disulfide?
The molecular weight of Ethyl isopropyl disulfide is 136.04 g/mol.
Where can I buy Ethyl isopropyl disulfide?
You can request a quote for Ethyl isopropyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isopropyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isopropyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.