1,2-Dithian-4-one
TL;DR: 1,2-Dithian-4-one (CAS 123728-62-1) is a chemical compound with molecular formula C4H6OS2 and molecular weight 133.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dithian-4-one
Also Known As: 1,2-dithian-4-one, dithian-4-one, dithian-5-one, Antimony,compd. with lithium (1:1), RefChem:216179
| Molecular Formula | C4H6OS2 |
|---|---|
| Molecular Weight | 133.99 g/mol |
| LogP | 1.3406 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.98601 |
| Heavy Atoms | 7 |
| Complexity | 73.75898 |
Chemical Identifiers
| CAS Number | 123728-62-1 |
|---|---|
| SMILES | C1CSSCC1=O |
Product Overview
1,2-Dithian-4-one (CAS 123728-62-1), with molecular formula C4H6OS2 and molecular weight 133.99 g/mol. IUPAC: dithian-4-one.
Chemical Property Profile of 1,2-Dithian-4-one
Property Insights of 1,2-Dithian-4-one
The XLogP value of 1.3406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dithian-4-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1,2-Dithian-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dithian-4-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 1,2-Dithian-4-one?
The CAS number of 1,2-Dithian-4-one is 123728-62-1.
What is the molecular formula of 1,2-Dithian-4-one?
The molecular formula of 1,2-Dithian-4-one is C4H6OS2.
What is the molecular weight of 1,2-Dithian-4-one?
The molecular weight of 1,2-Dithian-4-one is 133.99 g/mol.
Where can I buy 1,2-Dithian-4-one?
You can request a quote for 1,2-Dithian-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dithian-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dithian-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.