异丁基3-甲基丁基二硫醚
TL;DR: 异丁基3-甲基丁基二硫醚 (CAS 75203-66-6) is a chemical compound with molecular formula C9H20S2 and molecular weight 192.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁基3-甲基丁基二硫醚
3-methyl-1-(2-methylpropyldisulfanyl)butane
Also Known As: Isobutyl 3-methylbutyl disulfide, Isobutyl(3-methylbutyl) persulfide, 3-methylbutyl 2-methylpropyl disulfide, 1-(Isobutyldisulfanyl)-3-methylbutane #, 3-methyl-1-(2-methylpropyldisulfanyl)butane
| Molecular Formula | C9H20S2 |
|---|---|
| Molecular Weight | 192.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.10065 |
| Heavy Atoms | 11 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 75203-66-6 |
|---|---|
| SMILES | CC(C)CCSSCC(C)C |
| InChIKey | KMEMGYJGIIOBFV-UHFFFAOYSA-N |
Product Overview
异丁基3-甲基丁基二硫醚 (CAS 75203-66-6), with molecular formula C9H20S2 and molecular weight 192.10 g/mol. IUPAC: 3-methyl-1-(2-methylpropyldisulfanyl)butane.
Chemical Property Profile of 异丁基3-甲基丁基二硫醚
Property Insights of 异丁基3-甲基丁基二硫醚
The XLogP value of 3.9 indicates that 异丁基3-甲基丁基二硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 异丁基3-甲基丁基二硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁基3-甲基丁基二硫醚 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 异丁基3-甲基丁基二硫醚?
The CAS number of 异丁基3-甲基丁基二硫醚 is 75203-66-6.
What is the molecular formula of 异丁基3-甲基丁基二硫醚?
The molecular formula of 异丁基3-甲基丁基二硫醚 is C9H20S2.
What is the molecular weight of 异丁基3-甲基丁基二硫醚?
The molecular weight of 异丁基3-甲基丁基二硫醚 is 192.10 g/mol.
Where can I buy 异丁基3-甲基丁基二硫醚?
You can request a quote for 异丁基3-甲基丁基二硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁基3-甲基丁基二硫醚?
Yes, KEHONG BIO provides custom synthesis services for 异丁基3-甲基丁基二硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.