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