2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione
TL;DR: 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione (CAS 67106-62-1) is a chemical compound with molecular formula C12H16O2S2 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithian-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: J2.334.338J, AA-504/33957011, 2-(1,3-dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione, 2-(1,3-dithian-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione, 5,5-dimethyl-2-(1,3-dithian-2-ylidene)-cyclohexane-1,3-dione
| Molecular Formula | C12H16O2S2 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 3.0263 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.05917 |
| Heavy Atoms | 16 |
| Complexity | 339.21506 |
Chemical Identifiers
| CAS Number | 67106-62-1 |
|---|---|
| SMILES | CC1(CC(=O)C(=C2SCCCS2)C(=O)C1)C |
Product Overview
2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione (CAS 67106-62-1), with molecular formula C12H16O2S2 and molecular weight 256.06 g/mol. IUPAC: 2-(1,3-dithian-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione
Property Insights of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione
The XLogP value of 3.0263 indicates that 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione 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 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione?
The CAS number of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione is 67106-62-1.
What is the molecular formula of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione?
The molecular formula of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione is C12H16O2S2.
What is the molecular weight of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione?
The molecular weight of 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione is 256.06 g/mol.
Where can I buy 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione?
You can request a quote for 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithian-2-ylidene)-5,5-dimethyl-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.