Acetyl methyl disulfide
TL;DR: Acetyl methyl disulfide (CAS 5813-72-9) is a chemical compound with molecular formula C3H6OS2 and molecular weight 121.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methylsulfanyl ethanethioate
Also Known As: Acetyl methyl disulfide, S-Methyl dithioperoxyacetate, Acetyl(methyl) persulfide, S-methylsulfanyl ethanethioate, Dithioperoxyacetic acid, S-methyl ester
| Molecular Formula | C3H6OS2 |
|---|---|
| Molecular Weight | 121.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.98601 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 5813-72-9 |
|---|---|
| SMILES | CC(=O)SSC |
| InChIKey | NLVICNKKKXOHMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetyl methyl disulfide (CAS 5813-72-9), with molecular formula C3H6OS2 and molecular weight 121.99 g/mol. IUPAC: S-methylsulfanyl ethanethioate.
Chemical Property Profile of Acetyl methyl disulfide
Property Insights of Acetyl methyl disulfide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl methyl disulfide. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl methyl disulfide. Following Lipinski's Rule of Five, Acetyl methyl disulfide 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 Acetyl methyl disulfide?
The CAS number of Acetyl methyl disulfide is 5813-72-9.
What is the molecular formula of Acetyl methyl disulfide?
The molecular formula of Acetyl methyl disulfide is C3H6OS2.
What is the molecular weight of Acetyl methyl disulfide?
The molecular weight of Acetyl methyl disulfide is 121.99 g/mol.
Where can I buy Acetyl methyl disulfide?
You can request a quote for Acetyl methyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl methyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for Acetyl methyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.