dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate
TL;DR: dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate (CAS 354792-74-8) is a chemical compound with molecular formula C11H12O4S2 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5,6-dimethyl-4-sulfanylidenethiopyran-2,3-dicarboxylate
Also Known As: AO-159/37342016, dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate, dimethyl 5,6-dimethyl-4-sulfanylidenethiopyran-2,3-dicarboxylate
| Molecular Formula | C11H12O4S2 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 2.66763 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0177 |
| Heavy Atoms | 17 |
| Complexity | 531.00836 |
Chemical Identifiers
| CAS Number | 354792-74-8 |
|---|---|
| SMILES | CC1=C(SC(=C(C1=S)C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate (CAS 354792-74-8), with molecular formula C11H12O4S2 and molecular weight 272.02 g/mol. IUPAC: dimethyl 5,6-dimethyl-4-sulfanylidenethiopyran-2,3-dicarboxylate.
Chemical Property Profile of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate
Property Insights of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate
The XLogP value of 2.66763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate has 0 hydrogen bond donor(s) and 6 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 dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate?
The CAS number of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate is 354792-74-8.
What is the molecular formula of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate?
The molecular formula of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate is C11H12O4S2.
What is the molecular weight of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate?
The molecular weight of dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate is 272.02 g/mol.
Where can I buy dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate?
You can request a quote for dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5,6-dimethyl-4-thioxo-4H-thiopyran-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.