n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide
TL;DR: n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide (CAS 1013505-02-6) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide
Also Known As: n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide, N-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide
Technical Specifications
| Molecular Formula | C12H13N3OS |
| Molecular Weight | 247.07793 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.07793 Da |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
| SMILES | C1CC1NC(=S)N2CC(=O)NC3=CC=CC=C32 |
| InChIKey | SEGVAADEGHDDJY-UHFFFAOYSA-N |
Chemical Property Profile of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide
Property Insights of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide. Following Lipinski's Rule of Five, n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
The CAS number of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide is 1013505-02-6.
What is the molecular formula of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
The molecular formula of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide is C12H13N3OS.
What is the molecular weight of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
The molecular weight of n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide is 247.07793 g/mol.
Where can I buy n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
You can request a quote for n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
Yes, CoreyChem provides custom synthesis services for n-Cyclopropyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.