2-(Methyldithio)isobutyraldehyde
TL;DR: 2-(Methyldithio)isobutyraldehyde (CAS 67952-60-7) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(methyldisulfanyl)propanal
Also Known As: 2-(Methyldithio)isobutyraldehyde, cocoa propanal, 2-(methyldithio)-isobutyraldehyde, 2-methyl-2-(methyldithio)propanal, 2-methyl-2-(methyldisulfanyl)propanal
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| Melting Point | 80.00 to 83.00 °C. @ 760.00 mm Hg |
| Boiling Point | 46.00 °C. @ 1.00 mm Hg |
| Density | 1.095-1.100 |
| Solubility | very slightly |
| Refractive Index | 1.512-1.522 |
Chemical Identifiers
| CAS Number | 67952-60-7 |
|---|---|
| SMILES | CC(C)(C=O)SSC |
| InChIKey | VLBWEJJOETYCSE-UHFFFAOYSA-N |
Product Overview
2-(Methyldithio)isobutyraldehyde (CAS 67952-60-7), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: 2-methyl-2-(methyldisulfanyl)propanal.
Chemical Property Profile of 2-(Methyldithio)isobutyraldehyde
Property Insights of 2-(Methyldithio)isobutyraldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methyldithio)isobutyraldehyde. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methyldithio)isobutyraldehyde. Following Lipinski's Rule of Five, 2-(Methyldithio)isobutyraldehyde has 0 hydrogen bond donor(s) and 3 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 2-(Methyldithio)isobutyraldehyde?
The CAS number of 2-(Methyldithio)isobutyraldehyde is 67952-60-7.
What is the molecular formula of 2-(Methyldithio)isobutyraldehyde?
The molecular formula of 2-(Methyldithio)isobutyraldehyde is C5H10OS2.
What is the molecular weight of 2-(Methyldithio)isobutyraldehyde?
The molecular weight of 2-(Methyldithio)isobutyraldehyde is 150.02 g/mol.
Where can I buy 2-(Methyldithio)isobutyraldehyde?
You can request a quote for 2-(Methyldithio)isobutyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methyldithio)isobutyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methyldithio)isobutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.