2-Methylpropyl ethane(dithioate)
TL;DR: 2-Methylpropyl ethane(dithioate) (CAS 7551-06-6) is a chemical compound with molecular formula C6H12S2 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl ethanedithioate
Also Known As: 2-methylpropyl ethane(dithioate), 2-methylpropyl ethanedithioate, DITHIOACETIC ACID, ISOBUTYL ESTER
| Molecular Formula | C6H12S2 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.03804 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 7551-06-6 |
|---|---|
| SMILES | CC(C)CSC(=S)C |
| InChIKey | KLYNHVIJEHPQTQ-UHFFFAOYSA-N |
Product Overview
2-Methylpropyl ethane(dithioate) (CAS 7551-06-6), with molecular formula C6H12S2 and molecular weight 148.04 g/mol. IUPAC: 2-methylpropyl ethanedithioate.
Chemical Property Profile of 2-Methylpropyl ethane(dithioate)
Property Insights of 2-Methylpropyl ethane(dithioate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl ethane(dithioate). With a topological polar surface area (TPSA) of 57.4 Ų, 2-Methylpropyl ethane(dithioate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl ethane(dithioate) 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 2-Methylpropyl ethane(dithioate)?
The CAS number of 2-Methylpropyl ethane(dithioate) is 7551-06-6.
What is the molecular formula of 2-Methylpropyl ethane(dithioate)?
The molecular formula of 2-Methylpropyl ethane(dithioate) is C6H12S2.
What is the molecular weight of 2-Methylpropyl ethane(dithioate)?
The molecular weight of 2-Methylpropyl ethane(dithioate) is 148.04 g/mol.
Where can I buy 2-Methylpropyl ethane(dithioate)?
You can request a quote for 2-Methylpropyl ethane(dithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl ethane(dithioate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl ethane(dithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.