Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate
TL;DR: Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate (CAS 126520-14-7) is a chemical compound with molecular formula C11H13NO2S2 and molecular weight 255.03877 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carboxylate
Also Known As: ethyl 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carboxylate, Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta[c]thiopyran-4-carboxylate, ethyl 3-amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carboxylate, ethyl 3-amino-1-thioxo-5,6,7-trihydrocyclopenta[1,2-c]thiin-4-carboxylate, 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C11H13NO2S2 |
| Molecular Weight | 255.03877 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.03877 Da |
| Heavy Atoms | 16 |
| Complexity | 424.0 |
| SMILES | CCOC(=O)C1=C(SC(=S)C2=C1CCC2)N |
| InChIKey | VWOJESZFVONLRW-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate
Property Insights of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate?
The CAS number of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate is 126520-14-7.
What is the molecular formula of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate?
The molecular formula of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate is C11H13NO2S2.
What is the molecular weight of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate?
The molecular weight of Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate is 255.03877 g/mol.
Where can I buy Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate?
You can request a quote for Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.