2-Methyl-1lambda~4~,3-dithian-1-one
TL;DR: 2-Methyl-1lambda~4~,3-dithian-1-one (CAS 16452-25-8) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-dithiane 1-oxide
Also Known As: 2-Methyl-m-dithiane 1-oxide, 2-methyl-1,3-dithiane 1-oxide, 1,3-Dithiane, 2-methyl-, 1-oxide, m-DITHIANE, 2-METHYL-, 1-OXIDE, 2-Methyl-1lambda~4~,3-dithian-1-one
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 16452-25-8 |
|---|---|
| SMILES | CC1SCCCS1=O |
| InChIKey | CZILJPDWGUDUME-UHFFFAOYSA-N |
Product Overview
2-Methyl-1lambda~4~,3-dithian-1-one (CAS 16452-25-8), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: 2-methyl-1,3-dithiane 1-oxide.
Chemical Property Profile of 2-Methyl-1lambda~4~,3-dithian-1-one
Property Insights of 2-Methyl-1lambda~4~,3-dithian-1-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1lambda~4~,3-dithian-1-one. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1lambda~4~,3-dithian-1-one. Following Lipinski's Rule of Five, 2-Methyl-1lambda~4~,3-dithian-1-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 2-Methyl-1lambda~4~,3-dithian-1-one?
The CAS number of 2-Methyl-1lambda~4~,3-dithian-1-one is 16452-25-8.
What is the molecular formula of 2-Methyl-1lambda~4~,3-dithian-1-one?
The molecular formula of 2-Methyl-1lambda~4~,3-dithian-1-one is C5H10OS2.
What is the molecular weight of 2-Methyl-1lambda~4~,3-dithian-1-one?
The molecular weight of 2-Methyl-1lambda~4~,3-dithian-1-one is 150.02 g/mol.
Where can I buy 2-Methyl-1lambda~4~,3-dithian-1-one?
You can request a quote for 2-Methyl-1lambda~4~,3-dithian-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1lambda~4~,3-dithian-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1lambda~4~,3-dithian-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.