Methyl i-butyl disulfide
TL;DR: Methyl i-butyl disulfide (CAS 67421-83-4) 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-methyl-1-(methyldisulfanyl)propane
Also Known As: Methyl i-butyl disulfide, methylisobutyldisulphide, Methyl isobutyl disulphide, Isobutyl methyl disulfide, 2-Methyl-4,5-dithiahexane
| 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 | 3 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 67421-83-4 |
|---|---|
| SMILES | CC(C)CSSC |
| InChIKey | JQMZTHKFYCOSKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl i-butyl disulfide (CAS 67421-83-4), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 2-methyl-1-(methyldisulfanyl)propane.
Chemical Property Profile of Methyl i-butyl disulfide
Property Insights of Methyl i-butyl disulfide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl i-butyl disulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Methyl i-butyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl i-butyl 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 Methyl i-butyl disulfide?
The CAS number of Methyl i-butyl disulfide is 67421-83-4.
What is the molecular formula of Methyl i-butyl disulfide?
The molecular formula of Methyl i-butyl disulfide is C5H12S2.
What is the molecular weight of Methyl i-butyl disulfide?
The molecular weight of Methyl i-butyl disulfide is 136.04 g/mol.
Where can I buy Methyl i-butyl disulfide?
You can request a quote for Methyl i-butyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl i-butyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl i-butyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.