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350511-13-6

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Basic Information
CAS No.: 350511-13-6
Name: 6-(2-Thiazolylamino)-3-pyridinecarboxaldehyde
Molecular Structure:
Molecular Structure of 350511-13-6 (6-(2-Thiazolylamino)-3-pyridinecarboxaldehyde)
Formula: C9H7N3OS
Molecular Weight: 205.24
Synonyms: 6-(1,3-Thiazol-2-ylamino)pyridine-3-carbaldehyde;
Density: 1.434 g/cm3
Boiling Point: 402 °C at 760 mmHg
Flash Point: 196.9 °C
PSA: 0.00000
LogP: 0.00000
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Specification

The CAS registry number of 6-(2-Thiazolylamino)-3-pyridinecarboxaldehyde is 350511-13-6. Its molecular formula is C9H7N3OS and molecular weight is 205.2364. Its systematic name and IUPAC name are the same which is called 6-(1,3-Thiazol-2-ylamino)pyridine-3-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.87; (6)ACD/BCF (pH 7.4): 5.93; (7)ACD/KOC (pH 5.5): 123.17; (8)ACD/KOC (pH 7.4): 124.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.727; (13)Molar Refractivity: 56.94 cm3; (14)Molar Volume: 143 cm3; (15)Surface Tension: 72.2 dyne/cm; (16)Density: 1.434 g/cm3; (17)Flash Point: 196.9 °C; (18)Enthalpy of Vaporization: 65.31 kJ/mol; (19)Boiling Point: 402 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cnc(Nc1nccs1)cc2
(2)InChI: InChI=1/C9H7N3OS/c13-6-7-1-2-8(11-5-7)12-9-10-3-4-14-9/h1-6H,(H,10,11,12)
(3)InChIKey: WVSGPYSWOMVIPP-UHFFFAOYAO