Isopropyl methyl disulfide
TL;DR: Isopropyl methyl disulfide (CAS 42344-05-8) is a chemical compound with molecular formula CC(C)SSC and molecular weight 122.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methyldisulfanyl)propane
Also Known As: 2-(Methyldisulfanyl)propane, Isopropyl methyl disulfide, Methyl isopropyl disulfide, Isopropyl methyl disulphide, Methyl isopropyl disulphide
| Molecular Formula | CC(C)SSC |
|---|---|
| Molecular Weight | 122.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.02239 |
| Heavy Atoms | 6 |
| Complexity | 26.0 |
Chemical Identifiers
| CAS Number | 42344-05-8 |
|---|---|
| SMILES | CC(C)SSC |
| InChIKey | MRCFHOIQEFOJEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl methyl disulfide (CAS 42344-05-8), with molecular formula CC(C)SSC and molecular weight 122.02 g/mol. IUPAC: 2-(methyldisulfanyl)propane.
Chemical Property Profile of Isopropyl methyl disulfide
Property Insights of Isopropyl methyl disulfide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl methyl disulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Isopropyl methyl disulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl methyl 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 Isopropyl methyl disulfide?
The CAS number of Isopropyl methyl disulfide is 42344-05-8.
What is the molecular formula of Isopropyl methyl disulfide?
The molecular formula of Isopropyl methyl disulfide is CC(C)SSC.
What is the molecular weight of Isopropyl methyl disulfide?
The molecular weight of Isopropyl methyl disulfide is 122.02 g/mol.
Where can I buy Isopropyl methyl disulfide?
You can request a quote for Isopropyl methyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl methyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl methyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.