4-Methyl-1,2-dithiol-3-one
TL;DR: 4-Methyl-1,2-dithiol-3-one (CAS 3620-10-8) is a chemical compound with molecular formula C4H4OS2 and molecular weight 131.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyldithiol-3-one
Also Known As: 4-methyldithiol-3-one, 4-Methyl-3H-1,2-dithiol-3-one, 4-Methyl-1,2-dithiol-3-one, 3H-1,2-Dithiol-3-one, 4-methyl-, 4-Methyl-3H-1,2-dithiol-3-one #
| Molecular Formula | C4H4OS2 |
|---|---|
| Molecular Weight | 131.97 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.97035 |
| Heavy Atoms | 7 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 3620-10-8 |
|---|---|
| SMILES | CC1=CSSC1=O |
| InChIKey | ZEZBRKJABRQMJE-UHFFFAOYSA-N |
Product Overview
4-Methyl-1,2-dithiol-3-one (CAS 3620-10-8), with molecular formula C4H4OS2 and molecular weight 131.97 g/mol. IUPAC: 4-methyldithiol-3-one.
Chemical Property Profile of 4-Methyl-1,2-dithiol-3-one
Property Insights of 4-Methyl-1,2-dithiol-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2-dithiol-3-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,2-dithiol-3-one. Following Lipinski's Rule of Five, 4-Methyl-1,2-dithiol-3-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 4-Methyl-1,2-dithiol-3-one?
The CAS number of 4-Methyl-1,2-dithiol-3-one is 3620-10-8.
What is the molecular formula of 4-Methyl-1,2-dithiol-3-one?
The molecular formula of 4-Methyl-1,2-dithiol-3-one is C4H4OS2.
What is the molecular weight of 4-Methyl-1,2-dithiol-3-one?
The molecular weight of 4-Methyl-1,2-dithiol-3-one is 131.97 g/mol.
Where can I buy 4-Methyl-1,2-dithiol-3-one?
You can request a quote for 4-Methyl-1,2-dithiol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,2-dithiol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,2-dithiol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.