3-Methyl-1,2,4-trithiolane
TL;DR: 3-Methyl-1,2,4-trithiolane (CAS 51647-38-2) is a chemical compound with molecular formula C3H6S3 and molecular weight 137.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2,4-trithiolane
Also Known As: 3-methyl-1,2,4-trithiolane, 1,2,4-Trithiolane, 3-methyl-, 1,2,4-Trithiolane,3-methyl-, 1,2,4-Trithiolane, 3-methyl, 5-(1-Hexynyl)-2-furoic acid
| Molecular Formula | C3H6S3 |
|---|---|
| Molecular Weight | 137.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.96317 |
| Heavy Atoms | 6 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 51647-38-2 |
|---|---|
| SMILES | CC1SCSS1 |
| InChIKey | PWVJWPKTQMWOIH-UHFFFAOYSA-N |
Product Overview
3-Methyl-1,2,4-trithiolane (CAS 51647-38-2), with molecular formula C3H6S3 and molecular weight 137.96 g/mol. IUPAC: 3-methyl-1,2,4-trithiolane.
Chemical Property Profile of 3-Methyl-1,2,4-trithiolane
Property Insights of 3-Methyl-1,2,4-trithiolane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2,4-trithiolane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1,2,4-trithiolane. Following Lipinski's Rule of Five, 3-Methyl-1,2,4-trithiolane 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 3-Methyl-1,2,4-trithiolane?
The CAS number of 3-Methyl-1,2,4-trithiolane is 51647-38-2.
What is the molecular formula of 3-Methyl-1,2,4-trithiolane?
The molecular formula of 3-Methyl-1,2,4-trithiolane is C3H6S3.
What is the molecular weight of 3-Methyl-1,2,4-trithiolane?
The molecular weight of 3-Methyl-1,2,4-trithiolane is 137.96 g/mol.
Where can I buy 3-Methyl-1,2,4-trithiolane?
You can request a quote for 3-Methyl-1,2,4-trithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2,4-trithiolane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2,4-trithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.