Quinoline-4-thiocarboxamide supplier

Name
QUINOLINE-4-CARBOTHIOIC ACID AMIDE
EINECS 604-604-1
CAS No. 74585-98-1
Density 1.313g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂S
Boiling Point 374.9 °C at 760 mmHg
Molecular Weight 188.253
Flash Point 180.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinchoninamide,thio- (7CI);4-Quinolinethiocarboxamide;
PSA 71.00000
LogP 2.56930

Quinoline-4-thiocarboxamide Specification

The 4-Quinolinecarbothioamide, with CAS registry number 74585-98-1, has the systematic name of quinoline-4-carbothioamide. Besides this, it is also called Quinoline-4-carbothioic acid amide. And the chemical formula of this chemical is C₁₀H₈N₂S.

Physical properties of 4-Quinolinecarbothioamide: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.44; (6)ACD/BCF (pH 7.4): 9.46; (7)ACD/KOC (pH 5.5): 173.5; (8)ACD/KOC (pH 7.4): 173.83; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.22 Å²; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 58.37 cm³; (15)Molar Volume: 143.3 cm³; (16)Polarizability: 23.14×10^-24cm³; (17)Surface Tension: 74.5 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 180.5 °C; (20)Enthalpy of Vaporization: 62.23 kJ/mol; (21)Boiling Point: 374.9 °C at 760 mmHg; (22)Vapour Pressure: 8.09E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1c2ccccc2ncc1)N
(2)InChI: InChI=1/C10H8N2S/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,13)
(3)InChIKey: CVBYCKKBOIJRTK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H8N2S/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,13)
(5)Std. InChIKey: CVBYCKKBOIJRTK-UHFFFAOYSA-N

Product Name

QUINOLINE-4-CARBOTHIOIC ACID AMIDE

Quinoline-4-thiocarboxamide Specification

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