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Basic Information
CAS No.: 135025-56-8
Name: 7-CHLORO-4-MERCAPTOQUINOLINE-2-CARBOXYLIC ACID HCL
Molecular Structure:
Molecular Structure of 135025-56-8 (7-CHLORO-4-MERCAPTOQUINOLINE-2-CARBOXYLIC ACID HCL)
Formula: C10H6ClNO2S
Molecular Weight: 239.67814
Synonyms: 2-Quinolinecarboxylic acid, 7-chloro-4-mercapto-;7-Chloro-4-mercapto-2-quinolinecarboxylic acid;7-Chloro-thiokynurenate;7-Chloro-thiokynurenic acid;7-Cl-Thio-kyna;7-Cl-Thio-kynurenate;7-Chloro-4-mercaptoquinoline-2-carboxylic acid hydrochloride;
Density: 1.61 g/cm3
Boiling Point: 373.2 ºC at 760 mmHg
Flash Point: 179.5 ºC
PSA: 88.99000
LogP: 3.67710
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Chemistry


IUPAC Name: 7-Chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
Molecular Formula: C10H6ClNO2S
Molecular Weight: 239.67814 g/mol
Canonical SMILES: c1(ccc2c(cc(nc2c1)C(=O)O)S)Cl
InChI: InChI=1/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)
XLogP3-AA: 2.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 238.980777
MonoIsotopic Mass: 238.980777
Topological Polar Surface Area: 49.3
Heavy Atom Count: 15
Complexity: 342
Index of Refraction: 1.743
Molar Refractivity: 60.14 cm3
Molar Volume: 148.5 cm3
Polarizability: 23.84×10-24 cm3
Surface Tension: 84.7 dyne/cm
Density: 1.61 g/cm3
Flash Point: 179.5 °C
Enthalpy of Vaporization: 65.46 kJ/mol
Boiling Point: 373.2 °C at 760 mmHg
Vapour Pressure of 7-Chlorothiokynurenic acid (CAS NO.135025-56-8): 3.12E-06 mmHg at 25 °C

Uses

 7-Chlorothiokynurenic acid (CAS NO.135025-56-8) is used as Glycine site antagonist of NMDA receptor.

Specification

 7-Chlorothiokynurenic acid (CAS NO.135025-56-8), its Synonyms are 2-Quinolinecarboxylic acid, 7-chloro-4-mercapto- ; 7-Chloro-4-mercapto-2-quinolinecarboxylic acid ; 7-Chloro-thiokynurenate ; 7-Chloro-thiokynurenic acid ; 7-Cl-Thio-kyna ; 7-Cl-Thio-kynurenate ; 7-Chloro-4-mercaptoquinoline-2-carboxylic acid hydrochloride .