Methyl tert-butyl disulfide
TL;DR: Methyl tert-butyl disulfide (CAS 35166-82-6) 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-2-(methyldisulfanyl)propane
Also Known As: Methyl tert-butyl disulfide, tert-Butyl Methyl disulfide, Methyl t-butyl disulfide, Methyl tert-butyl disulphide, Methyl-tert-butyldisulfid
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 35166-82-6 |
|---|---|
| SMILES | CC(C)(C)SSC |
| InChIKey | JEGYOGCWPYGLIB-UHFFFAOYSA-N |
Product Overview
Methyl tert-butyl disulfide (CAS 35166-82-6), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 2-methyl-2-(methyldisulfanyl)propane.
Chemical Property Profile of Methyl tert-butyl disulfide
Property Insights of Methyl tert-butyl disulfide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl tert-butyl disulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Methyl tert-butyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl tert-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 tert-butyl disulfide?
The CAS number of Methyl tert-butyl disulfide is 35166-82-6.
What is the molecular formula of Methyl tert-butyl disulfide?
The molecular formula of Methyl tert-butyl disulfide is C5H12S2.
What is the molecular weight of Methyl tert-butyl disulfide?
The molecular weight of Methyl tert-butyl disulfide is 136.04 g/mol.
Where can I buy Methyl tert-butyl disulfide?
You can request a quote for Methyl tert-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 tert-butyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl tert-butyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.