3-Methyl-2,4-dithiahexane
TL;DR: 3-Methyl-2,4-dithiahexane (CAS 76229-82-8) 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.
1-ethylsulfanyl-1-methylsulfanylethane
Also Known As: 3-methyl-2,4-dithiahexane, 1-ethylsulfanyl-1-methylsulfanylethane, RefChem:94715
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 2.4 |
| 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 | 37.0 |
Chemical Identifiers
| CAS Number | 76229-82-8 |
|---|---|
| SMILES | CCSC(C)SC |
| InChIKey | RLVVEDPRNSYGPR-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,4-dithiahexane (CAS 76229-82-8), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 1-ethylsulfanyl-1-methylsulfanylethane.
Chemical Property Profile of 3-Methyl-2,4-dithiahexane
Property Insights of 3-Methyl-2,4-dithiahexane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,4-dithiahexane. With a topological polar surface area (TPSA) of 50.6 Ų, 3-Methyl-2,4-dithiahexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,4-dithiahexane 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 3-Methyl-2,4-dithiahexane?
The CAS number of 3-Methyl-2,4-dithiahexane is 76229-82-8.
What is the molecular formula of 3-Methyl-2,4-dithiahexane?
The molecular formula of 3-Methyl-2,4-dithiahexane is C5H12S2.
What is the molecular weight of 3-Methyl-2,4-dithiahexane?
The molecular weight of 3-Methyl-2,4-dithiahexane is 136.04 g/mol.
Where can I buy 3-Methyl-2,4-dithiahexane?
You can request a quote for 3-Methyl-2,4-dithiahexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,4-dithiahexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,4-dithiahexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.