![3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione structure](/static/products/218/218941-38-9.png)
3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione
TL;DR: 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione (CAS 218941-38-9) is a chemical compound with molecular formula C8H12O2S2 and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione
Also Known As: 3-[bis(methylsulfanyl)methylene]-2,4-pentanedione, 3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione, 3-(bis(methylthio)methylene)pentane-2,4-dione, 3-[Bis(methylthio)methylene]pentane-2,4-dione, 3-[Di(Methylthio)methylidene]pentane-2,4-dione
| Molecular Formula | C8H12O2S2 |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | 2.102 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.02788 |
| Heavy Atoms | 12 |
| Complexity | 209.21236 |
Chemical Identifiers
| CAS Number | 218941-38-9 |
|---|---|
| SMILES | CC(=O)C(=C(SC)SC)C(=O)C |
Product Overview
3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione (CAS 218941-38-9), with molecular formula C8H12O2S2 and molecular weight 204.03 g/mol. IUPAC: 3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione
Property Insights of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione
The XLogP value of 2.102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Bis(methylsulfanyl)methylidene]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-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione?
The CAS number of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione is 218941-38-9.
What is the molecular formula of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione?
The molecular formula of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione is C8H12O2S2.
What is the molecular weight of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione?
The molecular weight of 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione is 204.03 g/mol.
Where can I buy 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione?
You can request a quote for 3-[Bis(methylsulfanyl)methylidene]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-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[Bis(methylsulfanyl)methylidene]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.