4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester
TL;DR: 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester (CAS 125209-33-8) is a chemical compound with molecular formula C13H13N3O2S2 and molecular weight 307.04492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
Also Known As: S-(4-Oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) 4-thiomorpholinecarbothioate, 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester, S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate, 9-((4-Thiomorpholin-4-yl)carbonylthio)-4-oxo-4H-pyrido(1,2-a)pyrimidine, S-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
Technical Specifications
| Molecular Formula | C13H13N3O2S2 |
| Molecular Weight | 307.04492 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.04492 Da |
| Heavy Atoms | 20 |
| Complexity | 560.0 |
| SMILES | C1CSCCN1C(=O)SC2=CC=CN3C2=NC=CC3=O |
| InChIKey | BCIOODXIPGKJTJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester
Property Insights of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester. Following Lipinski's Rule of Five, 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester has 0 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 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester?
The CAS number of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester is 125209-33-8.
What is the molecular formula of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester?
The molecular formula of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester is C13H13N3O2S2.
What is the molecular weight of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester?
The molecular weight of 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester is 307.04492 g/mol.
Where can I buy 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester?
You can request a quote for 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester?
Yes, CoreyChem provides custom synthesis services for 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.