3-Methyl-1,2,4-trithiane
TL;DR: 3-Methyl-1,2,4-trithiane (CAS 43040-01-3) is a chemical compound with molecular formula C4H8S3 and molecular weight 151.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2,4-trithiane
Also Known As: 3-Methyl-1,2,4-trithiane, FEMA No. 3718, 1,2,4-Trithiane, 3-methyl-, 3-Methyl-1,2,4-trithiacyclohexane, 1,2,4-Trithiane, 3-methyl
| Molecular Formula | C4H8S3 |
|---|---|
| Molecular Weight | 151.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.97882 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
| Boiling Point | 226.00 °C. @ 760.00 mm Hg |
| Density | 1.276 (d20/4) |
| Solubility | insoluble in water; soluble in fat |
| Refractive Index | 1.617-1.627 |
Chemical Identifiers
| CAS Number | 43040-01-3 |
|---|---|
| SMILES | CC1SCCSS1 |
| InChIKey | UXPUEXDAOSQIQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,2,4-trithiane (CAS 43040-01-3), with molecular formula C4H8S3 and molecular weight 151.98 g/mol. IUPAC: 3-methyl-1,2,4-trithiane.
Chemical Property Profile of 3-Methyl-1,2,4-trithiane
Property Insights of 3-Methyl-1,2,4-trithiane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2,4-trithiane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1,2,4-trithiane. Following Lipinski's Rule of Five, 3-Methyl-1,2,4-trithiane 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-trithiane?
The CAS number of 3-Methyl-1,2,4-trithiane is 43040-01-3.
What is the molecular formula of 3-Methyl-1,2,4-trithiane?
The molecular formula of 3-Methyl-1,2,4-trithiane is C4H8S3.
What is the molecular weight of 3-Methyl-1,2,4-trithiane?
The molecular weight of 3-Methyl-1,2,4-trithiane is 151.98 g/mol.
Where can I buy 3-Methyl-1,2,4-trithiane?
You can request a quote for 3-Methyl-1,2,4-trithiane 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-trithiane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2,4-trithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.