异丁基硫醚
TL;DR: 异丁基硫醚 (CAS 592-65-4) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁基硫醚
2-methyl-1-(2-methylpropylsulfanyl)propane
Also Known As: Isobutyl sulfide, Diisobutyl sulfide, Isobutylsulfhydrate, Isobutylsulfide, diisobutylsulfane
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 592-65-4 |
|---|---|
| SMILES | CC(C)CSCC(C)C |
| InChIKey | CMWSRWTXVQLHNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁基硫醚 (CAS 592-65-4), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 2-methyl-1-(2-methylpropylsulfanyl)propane.
Chemical Property Profile of 异丁基硫醚
Property Insights of 异丁基硫醚
The XLogP value of 3.5 indicates that 异丁基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 异丁基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁基硫醚 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 异丁基硫醚?
The CAS number of 异丁基硫醚 is 592-65-4.
What is the molecular formula of 异丁基硫醚?
The molecular formula of 异丁基硫醚 is C8H18S.
What is the molecular weight of 异丁基硫醚?
The molecular weight of 异丁基硫醚 is 146.11 g/mol.
Where can I buy 异丁基硫醚?
You can request a quote for 异丁基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 异丁基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.