3-(1,3-Dithian-2-ylidene)pentane-2,4-dione
TL;DR: 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione (CAS 55727-23-6) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dithian-2-ylidene)pentane-2,4-dione
Also Known As: 3-(1,3-dithian-2-ylidene)pentane-2,4-dione, 3-(1,3-Dithian-2-ylidene)-2,4-pentanedione, 3-(1,3-Dithian-2-ylidene)-, 1,4-bis-trimethylsiloxycyclohexane, 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE
| Molecular Formula | C9H12O2S2 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.02788 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 55727-23-6 |
|---|---|
| SMILES | CC(=O)C(=C1SCCCS1)C(=O)C |
| InChIKey | PGPIRMKKHQOWIK-UHFFFAOYSA-N |
Product Overview
3-(1,3-Dithian-2-ylidene)pentane-2,4-dione (CAS 55727-23-6), with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol. IUPAC: 3-(1,3-dithian-2-ylidene)pentane-2,4-dione.
Chemical Property Profile of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione
Property Insights of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione has 0 hydrogen bond donor(s) and 4 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-(1,3-Dithian-2-ylidene)pentane-2,4-dione?
The CAS number of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione is 55727-23-6.
What is the molecular formula of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione?
The molecular formula of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione is C9H12O2S2.
What is the molecular weight of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione?
The molecular weight of 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione is 216.03 g/mol.
Where can I buy 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione?
You can request a quote for 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dithian-2-ylidene)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.