Atrazine-3-mercaptopropanoic acid
TL;DR: Atrazine-3-mercaptopropanoic acid (CAS 125454-31-1) is a chemical compound with molecular formula C11H19N5O2S and molecular weight 285.12595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
Also Known As: Atrazine-3-mercaptopropanoic acid, Propanoic acid, 3-((4-(ethylamino)-6-((1-methylethyl)amino)-1,3,5-triazin-2-yl)thio)-, 3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid, 3-([2-ethylamino-4-isopropylamino-1,3,5-triazine-6-yl]thio)-propanoic acid, 3-({4-(Ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}sulfanyl)propanoic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H19N5O2S |
| Molecular Weight | 285.12595 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.12595 Da |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
| SMILES | CCNC1=NC(=NC(=N1)SCCC(=O)O)NC(C)C |
| InChIKey | BQNJSWJSQJAQCA-UHFFFAOYSA-N |
Chemical Property Profile of Atrazine-3-mercaptopropanoic acid
Property Insights of Atrazine-3-mercaptopropanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atrazine-3-mercaptopropanoic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Atrazine-3-mercaptopropanoic acid. Following Lipinski's Rule of Five, Atrazine-3-mercaptopropanoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Atrazine-3-mercaptopropanoic acid?
The CAS number of Atrazine-3-mercaptopropanoic acid is 125454-31-1.
What is the molecular formula of Atrazine-3-mercaptopropanoic acid?
The molecular formula of Atrazine-3-mercaptopropanoic acid is C11H19N5O2S.
What is the molecular weight of Atrazine-3-mercaptopropanoic acid?
The molecular weight of Atrazine-3-mercaptopropanoic acid is 285.12595 g/mol.
Where can I buy Atrazine-3-mercaptopropanoic acid?
You can request a quote for Atrazine-3-mercaptopropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atrazine-3-mercaptopropanoic acid?
Yes, CoreyChem provides custom synthesis services for Atrazine-3-mercaptopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.