7-Chlorothiokynurenic acid

Base Information

• Chemical Name: 7-Chlorothiokynurenic acid
• CAS No.: 135025-56-8
• Molecular Formula: C10H6ClNO2S
• Molecular Weight: 239.67814
• DSSTox Substance ID: DTXSID50159214
• Nikkaji Number: J400.582A
• ChEMBL ID: CHEMBL131272
• Mol file: 135025-56-8.mol

Synonyms:7-chloro-thiokynurenate;7-chlorothiokynurenic acid;7-Cl-Thio-Kyna;7-Cl-thio-kynurenate

Chemical Property of 7-Chlorothiokynurenic acid

Chemical Property:

• Vapor Pressure: 3.12E-06mmHg at 25°C
• Refractive Index: 1.743
• Boiling Point: 373.2 ºC at 760 mmHg
• Flash Point: 179.5 ºC
• PSA: 88.99000
• Density: 1.61 g/cm³
• LogP: 3.67710
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 238.9807773
• Heavy Atom Count: 15
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

7-ChlorothiokynurenicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=CC2=S)C(=O)O
• Uses: 7-Chlorothiokynurenic Acid is an NMDA receptor antagonist acting at the glycine site.