2,3,5-Trithiahexane
TL;DR: 2,3,5-Trithiahexane (CAS 42474-44-2) is a chemical compound with molecular formula C3H8S3 and molecular weight 139.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(methyldisulfanyl)-methylsulfanylmethane
Also Known As: 2,3,5-Trithiahexane, 2,4,5-Trithiahexane, Methyl methylthiomethyl disulfide, Disulfide, methyl (methylthio)methyl, Methyl (methylthio)methyl disulfide
| Molecular Formula | C3H8S3 |
|---|---|
| Molecular Weight | 139.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.97882 |
| Heavy Atoms | 6 |
| Complexity | 22.0 |
| Boiling Point | 56.00 to 58.00 °C. @ 8.00 mm Hg |
| Density | 1.157-1.163 |
| Solubility | Insoluble in water and heptane; soluble in triacetin |
| Refractive Index | 1.436-1.444 |
Chemical Identifiers
| CAS Number | 42474-44-2 |
|---|---|
| SMILES | CSCSSC |
| InChIKey | MYIOBINSHMEDEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5-Trithiahexane (CAS 42474-44-2), with molecular formula C3H8S3 and molecular weight 139.98 g/mol. IUPAC: (methyldisulfanyl)-methylsulfanylmethane.
Chemical Property Profile of 2,3,5-Trithiahexane
Property Insights of 2,3,5-Trithiahexane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5-Trithiahexane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5-Trithiahexane. Following Lipinski's Rule of Five, 2,3,5-Trithiahexane 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 2,3,5-Trithiahexane?
The CAS number of 2,3,5-Trithiahexane is 42474-44-2.
What is the molecular formula of 2,3,5-Trithiahexane?
The molecular formula of 2,3,5-Trithiahexane is C3H8S3.
What is the molecular weight of 2,3,5-Trithiahexane?
The molecular weight of 2,3,5-Trithiahexane is 139.98 g/mol.
Where can I buy 2,3,5-Trithiahexane?
You can request a quote for 2,3,5-Trithiahexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Trithiahexane?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trithiahexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.