乙基丙基二硫醚
TL;DR: 乙基丙基二硫醚 (CAS 30453-31-7) 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.
乙基丙基二硫醚
1-(ethyldisulfanyl)propane
Also Known As: ETHYL PROPYL DISULFIDE, 1-(Ethyldisulfanyl)propane, Disulfide, ethyl propyl, ethyl propyl disulphide, 3,4-Dithiaheptane
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 29.0 |
| Boiling Point | 180.00 °C. @ 760.00 mm Hg |
| Density | 0.943-0.953 |
| Solubility | Soluble in non-polar solvents; insoluble in water |
| Refractive Index | 1.483-1.493 |
Chemical Identifiers
| CAS Number | 30453-31-7 |
|---|---|
| SMILES | CCCSSCC |
| InChIKey | SNGRPWPVGSSZGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基丙基二硫醚 (CAS 30453-31-7), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 1-(ethyldisulfanyl)propane.
Chemical Property Profile of 乙基丙基二硫醚
Property Insights of 乙基丙基二硫醚
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙基丙基二硫醚. With a topological polar surface area (TPSA) of 50.6 Ų, 乙基丙基二硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙基丙基二硫醚 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 乙基丙基二硫醚?
The CAS number of 乙基丙基二硫醚 is 30453-31-7.
What is the molecular formula of 乙基丙基二硫醚?
The molecular formula of 乙基丙基二硫醚 is C5H12S2.
What is the molecular weight of 乙基丙基二硫醚?
The molecular weight of 乙基丙基二硫醚 is 136.04 g/mol.
Where can I buy 乙基丙基二硫醚?
You can request a quote for 乙基丙基二硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基丙基二硫醚?
Yes, KEHONG BIO provides custom synthesis services for 乙基丙基二硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.