3,5-Dithiahexan-2-one
TL;DR: 3,5-Dithiahexan-2-one (CAS 38634-59-2) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(methylsulfanylmethyl) ethanethioate
Also Known As: 3,5-dithiahexan-2-one, Methylthiomethyl acetyl sulfide, Fema No. 4817, S-((Methylthio)methyl)thioacetate, (Methylthio)methylthiolacetate
| Molecular Formula | C4H8OS2 |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.00166 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 38634-59-2 |
|---|---|
| SMILES | CC(=O)SCSC |
| InChIKey | NBPHYHUSNPKGSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dithiahexan-2-one (CAS 38634-59-2), with molecular formula C4H8OS2 and molecular weight 136.00 g/mol. IUPAC: S-(methylsulfanylmethyl) ethanethioate.
Chemical Property Profile of 3,5-Dithiahexan-2-one
Property Insights of 3,5-Dithiahexan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dithiahexan-2-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dithiahexan-2-one. Following Lipinski's Rule of Five, 3,5-Dithiahexan-2-one 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 3,5-Dithiahexan-2-one?
The CAS number of 3,5-Dithiahexan-2-one is 38634-59-2.
What is the molecular formula of 3,5-Dithiahexan-2-one?
The molecular formula of 3,5-Dithiahexan-2-one is C4H8OS2.
What is the molecular weight of 3,5-Dithiahexan-2-one?
The molecular weight of 3,5-Dithiahexan-2-one is 136.00 g/mol.
Where can I buy 3,5-Dithiahexan-2-one?
You can request a quote for 3,5-Dithiahexan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dithiahexan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dithiahexan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.